USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 GLN : amide:sc= -13.5! C(o=-25!,f=-13!) USER MOD Set 1.2: A 84 ASN : amide:sc= -11.7! C(o=-25!,f=-25!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot 133:sc= 0.169 USER MOD Set 2.3: A 49 GLN : amide:sc= -3.41 K(o=-3.2,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ -122:sc= -0.481 (180deg=-2!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 154:sc= -0.112 (180deg=-1.03) USER MOD Single : A 15 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.057) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -138:sc= -0.182 (180deg=-2.43) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc=0.000243 (180deg=0) USER MOD Single : A 33 CYS SG : rot 130:sc= -2.09 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 41 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.88) USER MOD Single : A 43 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1.7!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -4.55! C(o=-4.5!,f=-8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.014 K(o=-0.014,f=-1.7!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 58 GLN : amide:sc= -4.02 K(o=-4,f=-0.73) USER MOD Single : A 64 ASN : amide:sc= -0.533! C(o=-0.53!,f=-13!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 69 CYS SG : rot -73:sc= -1.34 USER MOD Single : A 76 THR OG1 : rot -40:sc= -1.78 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc=-0.00179 K(o=-0.0018,f=-1.9!) USER MOD Single : A 108 HIS : no HD1:sc= -0.832 K(o=-0.83,f=-0.19) USER MOD Single : A 111 LYS NZ :NH3+ 131:sc= 0.125 (180deg=-0.997) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.79) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -3.51 K(o=-3.5,f=0.65) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.289 1.859 21.462 1.00 1.00 N ATOM 2 CA GLY A 1 -15.613 2.471 22.781 1.00 1.00 C ATOM 3 C GLY A 1 -15.770 1.372 23.830 1.00 1.00 C ATOM 4 O GLY A 1 -14.897 1.183 24.676 1.00 1.00 O ATOM 0 H1 GLY A 1 -14.386 2.240 21.115 1.00 1.00 H new ATOM 0 H2 GLY A 1 -15.211 0.827 21.568 1.00 1.00 H new ATOM 0 H3 GLY A 1 -16.043 2.082 20.781 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -14.823 3.161 23.077 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -16.532 3.052 22.708 1.00 1.00 H new ATOM 10 N PRO A 2 -16.862 0.654 23.784 1.00 1.00 N ATOM 11 CA PRO A 2 -17.140 -0.452 24.748 1.00 1.00 C ATOM 12 C PRO A 2 -16.127 -1.591 24.622 1.00 1.00 C ATOM 13 O PRO A 2 -15.922 -2.357 25.563 1.00 1.00 O ATOM 14 CB PRO A 2 -18.564 -0.912 24.379 1.00 1.00 C ATOM 15 CG PRO A 2 -18.769 -0.461 22.964 1.00 1.00 C ATOM 16 CD PRO A 2 -17.950 0.817 22.807 1.00 1.00 C ATOM 0 HA PRO A 2 -17.059 -0.128 25.785 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -18.663 -1.994 24.466 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -19.305 -0.470 25.044 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -18.439 -1.225 22.259 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -19.824 -0.276 22.763 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -17.565 0.924 21.793 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -18.547 1.704 23.017 1.00 1.00 H new ATOM 24 N LEU A 3 -15.497 -1.696 23.456 1.00 1.00 N ATOM 25 CA LEU A 3 -14.511 -2.744 23.229 1.00 1.00 C ATOM 26 C LEU A 3 -13.326 -2.574 24.175 1.00 1.00 C ATOM 27 O LEU A 3 -12.809 -3.552 24.717 1.00 1.00 O ATOM 28 CB LEU A 3 -14.023 -2.701 21.777 1.00 1.00 C ATOM 29 CG LEU A 3 -15.155 -3.123 20.829 1.00 1.00 C ATOM 30 CD1 LEU A 3 -14.707 -2.879 19.383 1.00 1.00 C ATOM 31 CD2 LEU A 3 -15.498 -4.616 21.026 1.00 1.00 C ATOM 0 H LEU A 3 -15.650 -1.075 22.662 1.00 1.00 H new ATOM 0 HA LEU A 3 -14.981 -3.709 23.422 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -13.685 -1.695 21.528 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -13.167 -3.365 21.653 1.00 1.00 H new ATOM 0 HG LEU A 3 -16.046 -2.535 21.048 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -15.503 -3.175 18.700 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -14.485 -1.821 19.244 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -13.813 -3.467 19.175 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -16.302 -4.897 20.346 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -14.617 -5.222 20.817 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -15.817 -4.783 22.055 1.00 1.00 H new ATOM 43 N GLY A 4 -12.901 -1.329 24.371 1.00 1.00 N ATOM 44 CA GLY A 4 -11.775 -1.045 25.257 1.00 1.00 C ATOM 45 C GLY A 4 -10.450 -1.226 24.527 1.00 1.00 C ATOM 46 O GLY A 4 -9.383 -1.216 25.142 1.00 1.00 O ATOM 0 H GLY A 4 -13.315 -0.506 23.933 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -11.851 -0.025 25.633 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -11.812 -1.707 26.122 1.00 1.00 H new ATOM 50 N SER A 5 -10.525 -1.396 23.212 1.00 1.00 N ATOM 51 CA SER A 5 -9.326 -1.581 22.402 1.00 1.00 C ATOM 52 C SER A 5 -8.558 -0.268 22.274 1.00 1.00 C ATOM 53 O SER A 5 -9.145 0.813 22.314 1.00 1.00 O ATOM 54 CB SER A 5 -9.713 -2.088 21.011 1.00 1.00 C ATOM 55 OG SER A 5 -10.085 -3.458 21.097 1.00 1.00 O ATOM 0 H SER A 5 -11.399 -1.410 22.686 1.00 1.00 H new ATOM 0 HA SER A 5 -8.686 -2.315 22.892 1.00 1.00 H new ATOM 0 HB2 SER A 5 -10.540 -1.499 20.614 1.00 1.00 H new ATOM 0 HB3 SER A 5 -8.877 -1.969 20.322 1.00 1.00 H new ATOM 0 HG SER A 5 -10.335 -3.785 20.208 1.00 1.00 H new ATOM 61 N MET A 6 -7.242 -0.373 22.120 1.00 1.00 N ATOM 62 CA MET A 6 -6.399 0.811 21.987 1.00 1.00 C ATOM 63 C MET A 6 -6.441 1.339 20.555 1.00 1.00 C ATOM 64 O MET A 6 -6.426 0.569 19.597 1.00 1.00 O ATOM 65 CB MET A 6 -4.954 0.466 22.364 1.00 1.00 C ATOM 66 CG MET A 6 -4.089 1.730 22.307 1.00 1.00 C ATOM 67 SD MET A 6 -2.399 1.335 22.822 1.00 1.00 S ATOM 68 CE MET A 6 -1.952 0.295 21.407 1.00 1.00 C ATOM 0 H MET A 6 -6.738 -1.259 22.084 1.00 1.00 H new ATOM 0 HA MET A 6 -6.776 1.582 22.658 1.00 1.00 H new ATOM 0 HB2 MET A 6 -4.922 0.037 23.365 1.00 1.00 H new ATOM 0 HB3 MET A 6 -4.560 -0.287 21.682 1.00 1.00 H new ATOM 0 HG2 MET A 6 -4.086 2.135 21.295 1.00 1.00 H new ATOM 0 HG3 MET A 6 -4.507 2.499 22.957 1.00 1.00 H new ATOM 0 HE1 MET A 6 -0.871 0.317 21.266 1.00 1.00 H new ATOM 0 HE2 MET A 6 -2.273 -0.730 21.593 1.00 1.00 H new ATOM 0 HE3 MET A 6 -2.443 0.671 20.509 1.00 1.00 H new ATOM 78 N GLU A 7 -6.487 2.663 20.422 1.00 1.00 N ATOM 79 CA GLU A 7 -6.526 3.298 19.108 1.00 1.00 C ATOM 80 C GLU A 7 -5.544 2.613 18.150 1.00 1.00 C ATOM 81 O GLU A 7 -4.531 2.068 18.589 1.00 1.00 O ATOM 82 CB GLU A 7 -6.160 4.779 19.249 1.00 1.00 C ATOM 83 CG GLU A 7 -7.330 5.538 19.880 1.00 1.00 C ATOM 84 CD GLU A 7 -6.878 6.932 20.302 1.00 1.00 C ATOM 85 OE1 GLU A 7 -5.877 7.390 19.776 1.00 1.00 O ATOM 86 OE2 GLU A 7 -7.536 7.517 21.144 1.00 1.00 O ATOM 0 H GLU A 7 -6.498 3.315 21.206 1.00 1.00 H new ATOM 0 HA GLU A 7 -7.532 3.204 18.700 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -5.268 4.887 19.866 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -5.924 5.201 18.272 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -8.152 5.613 19.168 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -7.706 4.991 20.745 1.00 1.00 H new ATOM 93 N PRO A 8 -5.814 2.623 16.862 1.00 1.00 N ATOM 94 CA PRO A 8 -4.912 1.980 15.855 1.00 1.00 C ATOM 95 C PRO A 8 -3.624 2.783 15.642 1.00 1.00 C ATOM 96 O PRO A 8 -3.574 3.977 15.943 1.00 1.00 O ATOM 97 CB PRO A 8 -5.770 1.948 14.581 1.00 1.00 C ATOM 98 CG PRO A 8 -6.692 3.114 14.720 1.00 1.00 C ATOM 99 CD PRO A 8 -6.992 3.238 16.216 1.00 1.00 C ATOM 0 HA PRO A 8 -4.573 0.993 16.168 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -5.154 2.034 13.686 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -6.323 1.012 14.499 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -6.230 4.024 14.338 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -7.608 2.958 14.150 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -7.115 4.279 16.515 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -7.912 2.719 16.484 1.00 1.00 H new ATOM 107 N PRO A 9 -2.594 2.157 15.131 1.00 1.00 N ATOM 108 CA PRO A 9 -1.283 2.831 14.874 1.00 1.00 C ATOM 109 C PRO A 9 -1.408 3.945 13.835 1.00 1.00 C ATOM 110 O PRO A 9 -0.682 4.939 13.884 1.00 1.00 O ATOM 111 CB PRO A 9 -0.377 1.692 14.366 1.00 1.00 C ATOM 112 CG PRO A 9 -1.319 0.648 13.854 1.00 1.00 C ATOM 113 CD PRO A 9 -2.561 0.740 14.735 1.00 1.00 C ATOM 0 HA PRO A 9 -0.889 3.321 15.765 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.292 2.041 13.579 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.250 1.300 15.166 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -1.568 0.825 12.808 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.872 -0.344 13.911 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -3.461 0.454 14.191 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -2.489 0.082 15.601 1.00 1.00 H new ATOM 121 N LEU A 10 -2.323 3.766 12.895 1.00 1.00 N ATOM 122 CA LEU A 10 -2.527 4.758 11.843 1.00 1.00 C ATOM 123 C LEU A 10 -3.030 6.073 12.454 1.00 1.00 C ATOM 124 O LEU A 10 -3.448 6.092 13.612 1.00 1.00 O ATOM 125 CB LEU A 10 -3.554 4.220 10.821 1.00 1.00 C ATOM 126 CG LEU A 10 -2.842 3.500 9.669 1.00 1.00 C ATOM 127 CD1 LEU A 10 -2.158 2.235 10.190 1.00 1.00 C ATOM 128 CD2 LEU A 10 -3.872 3.126 8.605 1.00 1.00 C ATOM 0 H LEU A 10 -2.933 2.951 12.836 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.581 4.947 11.336 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.242 3.535 11.315 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -4.151 5.044 10.429 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.087 4.158 9.238 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -1.654 1.728 9.367 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -1.427 2.504 10.952 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -2.905 1.569 10.623 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -3.375 2.613 7.782 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -4.623 2.468 9.041 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -4.354 4.030 8.232 1.00 1.00 H new ATOM 140 N PRO A 11 -3.016 7.168 11.716 1.00 1.00 N ATOM 141 CA PRO A 11 -3.501 8.477 12.247 1.00 1.00 C ATOM 142 C PRO A 11 -4.989 8.429 12.584 1.00 1.00 C ATOM 143 O PRO A 11 -5.758 7.709 11.947 1.00 1.00 O ATOM 144 CB PRO A 11 -3.209 9.489 11.119 1.00 1.00 C ATOM 145 CG PRO A 11 -2.252 8.793 10.205 1.00 1.00 C ATOM 146 CD PRO A 11 -2.556 7.303 10.320 1.00 1.00 C ATOM 0 HA PRO A 11 -3.005 8.748 13.179 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -4.123 9.768 10.594 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.777 10.407 11.516 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.376 9.137 9.178 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.221 9.002 10.489 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.322 6.991 9.610 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.673 6.694 10.125 1.00 1.00 H new ATOM 154 N VAL A 12 -5.378 9.194 13.590 1.00 1.00 N ATOM 155 CA VAL A 12 -6.772 9.232 14.015 1.00 1.00 C ATOM 156 C VAL A 12 -7.665 9.820 12.924 1.00 1.00 C ATOM 157 O VAL A 12 -8.737 9.291 12.635 1.00 1.00 O ATOM 158 CB VAL A 12 -6.896 10.064 15.293 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.371 10.202 15.676 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.137 9.372 16.429 1.00 1.00 C ATOM 0 H VAL A 12 -4.753 9.796 14.127 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.101 8.211 14.208 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.473 11.054 15.122 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.457 10.795 16.587 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.912 10.696 14.869 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.797 9.213 15.846 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.225 9.965 17.340 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.559 8.382 16.598 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.085 9.277 16.159 1.00 1.00 H new ATOM 170 N GLY A 13 -7.216 10.919 12.329 1.00 1.00 N ATOM 171 CA GLY A 13 -7.982 11.579 11.277 1.00 1.00 C ATOM 172 C GLY A 13 -8.120 10.684 10.050 1.00 1.00 C ATOM 173 O GLY A 13 -9.102 10.775 9.312 1.00 1.00 O ATOM 0 H GLY A 13 -6.330 11.371 12.555 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.971 11.840 11.653 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.492 12.511 10.997 1.00 1.00 H new ATOM 177 N ALA A 14 -7.126 9.832 9.831 1.00 1.00 N ATOM 178 CA ALA A 14 -7.143 8.935 8.680 1.00 1.00 C ATOM 179 C ALA A 14 -8.304 7.951 8.765 1.00 1.00 C ATOM 180 O ALA A 14 -8.609 7.421 9.833 1.00 1.00 O ATOM 181 CB ALA A 14 -5.827 8.160 8.602 1.00 1.00 C ATOM 0 H ALA A 14 -6.304 9.743 10.429 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.268 9.542 7.784 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.848 7.493 7.740 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.998 8.860 8.499 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.696 7.574 9.511 1.00 1.00 H new ATOM 187 N GLN A 15 -8.939 7.702 7.618 1.00 1.00 N ATOM 188 CA GLN A 15 -10.064 6.765 7.538 1.00 1.00 C ATOM 189 C GLN A 15 -9.619 5.510 6.780 1.00 1.00 C ATOM 190 O GLN A 15 -9.406 5.579 5.573 1.00 1.00 O ATOM 191 CB GLN A 15 -11.226 7.414 6.778 1.00 1.00 C ATOM 192 CG GLN A 15 -11.655 8.713 7.478 1.00 1.00 C ATOM 193 CD GLN A 15 -12.618 8.409 8.623 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.436 8.904 9.735 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.635 7.619 8.414 1.00 1.00 N ATOM 0 H GLN A 15 -8.693 8.137 6.729 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.386 6.503 8.546 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.926 7.627 5.752 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.068 6.724 6.727 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.777 9.234 7.861 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -12.133 9.380 6.760 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.782 7.211 7.491 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.283 7.410 9.174 1.00 1.00 H new ATOM 204 N PRO A 16 -9.446 4.379 7.432 1.00 1.00 N ATOM 205 CA PRO A 16 -8.982 3.138 6.740 1.00 1.00 C ATOM 206 C PRO A 16 -10.077 2.484 5.904 1.00 1.00 C ATOM 207 O PRO A 16 -11.175 2.218 6.392 1.00 1.00 O ATOM 208 CB PRO A 16 -8.540 2.236 7.898 1.00 1.00 C ATOM 209 CG PRO A 16 -9.416 2.634 9.038 1.00 1.00 C ATOM 210 CD PRO A 16 -9.676 4.138 8.872 1.00 1.00 C ATOM 0 HA PRO A 16 -8.188 3.339 6.021 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.666 1.182 7.650 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.487 2.384 8.136 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -10.351 2.073 9.025 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.932 2.425 9.992 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.692 4.403 9.165 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -9.001 4.731 9.490 1.00 1.00 H new ATOM 218 N LEU A 17 -9.756 2.217 4.639 1.00 1.00 N ATOM 219 CA LEU A 17 -10.698 1.575 3.721 1.00 1.00 C ATOM 220 C LEU A 17 -10.363 0.102 3.592 1.00 1.00 C ATOM 221 O LEU A 17 -11.248 -0.748 3.512 1.00 1.00 O ATOM 222 CB LEU A 17 -10.595 2.209 2.335 1.00 1.00 C ATOM 223 CG LEU A 17 -10.867 3.710 2.414 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.671 4.321 1.025 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.308 3.963 2.893 1.00 1.00 C ATOM 0 H LEU A 17 -8.850 2.435 4.225 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.706 1.703 4.116 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.602 2.034 1.921 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.309 1.739 1.659 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.178 4.168 3.123 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.863 5.393 1.069 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.647 4.149 0.693 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.363 3.857 0.322 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.491 5.036 2.946 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.009 3.509 2.193 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.446 3.523 3.881 1.00 1.00 H new ATOM 237 N ALA A 18 -9.067 -0.188 3.560 1.00 1.00 N ATOM 238 CA ALA A 18 -8.601 -1.564 3.423 1.00 1.00 C ATOM 239 C ALA A 18 -7.228 -1.717 4.060 1.00 1.00 C ATOM 240 O ALA A 18 -6.475 -0.750 4.162 1.00 1.00 O ATOM 241 CB ALA A 18 -8.521 -1.941 1.942 1.00 1.00 C ATOM 0 H ALA A 18 -8.323 0.507 3.627 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.306 -2.225 3.928 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.172 -2.969 1.847 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.508 -1.849 1.489 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.825 -1.274 1.434 1.00 1.00 H new ATOM 247 N THR A 19 -6.900 -2.937 4.482 1.00 1.00 N ATOM 248 CA THR A 19 -5.602 -3.199 5.106 1.00 1.00 C ATOM 249 C THR A 19 -5.081 -4.570 4.698 1.00 1.00 C ATOM 250 O THR A 19 -5.836 -5.541 4.645 1.00 1.00 O ATOM 251 CB THR A 19 -5.727 -3.116 6.630 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.517 -3.557 7.228 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.885 -3.996 7.103 1.00 1.00 C ATOM 0 H THR A 19 -7.507 -3.753 4.405 1.00 1.00 H new ATOM 0 HA THR A 19 -4.894 -2.444 4.766 1.00 1.00 H new ATOM 0 HB THR A 19 -5.921 -2.084 6.921 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.595 -3.503 8.203 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.970 -3.934 8.188 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.813 -3.653 6.646 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.698 -5.030 6.813 1.00 1.00 H new ATOM 261 N VAL A 20 -3.781 -4.641 4.398 1.00 1.00 N ATOM 262 CA VAL A 20 -3.169 -5.902 3.982 1.00 1.00 C ATOM 263 C VAL A 20 -1.781 -6.061 4.589 1.00 1.00 C ATOM 264 O VAL A 20 -1.048 -5.088 4.761 1.00 1.00 O ATOM 265 CB VAL A 20 -3.056 -5.941 2.450 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.402 -4.647 1.951 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.222 -7.161 2.004 1.00 1.00 C ATOM 0 H VAL A 20 -3.140 -3.849 4.435 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.800 -6.719 4.332 1.00 1.00 H new ATOM 0 HB VAL A 20 -4.055 -6.029 2.022 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.322 -4.675 0.864 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -3.011 -3.793 2.248 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.407 -4.551 2.386 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.151 -7.175 0.916 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -1.222 -7.094 2.432 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -2.704 -8.076 2.348 1.00 1.00 H new ATOM 277 N GLU A 21 -1.416 -7.307 4.880 1.00 1.00 N ATOM 278 CA GLU A 21 -0.098 -7.605 5.432 1.00 1.00 C ATOM 279 C GLU A 21 0.735 -8.305 4.371 1.00 1.00 C ATOM 280 O GLU A 21 0.343 -9.351 3.851 1.00 1.00 O ATOM 281 CB GLU A 21 -0.227 -8.510 6.658 1.00 1.00 C ATOM 282 CG GLU A 21 -0.895 -7.729 7.791 1.00 1.00 C ATOM 283 CD GLU A 21 -1.096 -8.634 9.000 1.00 1.00 C ATOM 284 OE1 GLU A 21 -0.700 -9.785 8.927 1.00 1.00 O ATOM 285 OE2 GLU A 21 -1.643 -8.162 9.984 1.00 1.00 O ATOM 0 H GLU A 21 -2.012 -8.123 4.743 1.00 1.00 H new ATOM 0 HA GLU A 21 0.384 -6.675 5.733 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.816 -9.393 6.412 1.00 1.00 H new ATOM 0 HB3 GLU A 21 0.756 -8.860 6.972 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -0.279 -6.873 8.066 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -1.855 -7.337 7.456 1.00 1.00 H new ATOM 292 N GLY A 22 1.880 -7.720 4.042 1.00 1.00 N ATOM 293 CA GLY A 22 2.761 -8.288 3.025 1.00 1.00 C ATOM 294 C GLY A 22 4.218 -8.154 3.434 1.00 1.00 C ATOM 295 O GLY A 22 4.527 -8.009 4.616 1.00 1.00 O ATOM 0 H GLY A 22 2.221 -6.855 4.462 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.517 -9.339 2.873 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.598 -7.782 2.073 1.00 1.00 H new ATOM 299 N MET A 23 5.114 -8.204 2.448 1.00 1.00 N ATOM 300 CA MET A 23 6.547 -8.089 2.715 1.00 1.00 C ATOM 301 C MET A 23 7.168 -7.009 1.834 1.00 1.00 C ATOM 302 O MET A 23 6.990 -7.007 0.615 1.00 1.00 O ATOM 303 CB MET A 23 7.228 -9.435 2.443 1.00 1.00 C ATOM 304 CG MET A 23 6.326 -10.570 2.929 1.00 1.00 C ATOM 305 SD MET A 23 5.914 -10.319 4.676 1.00 1.00 S ATOM 306 CE MET A 23 7.198 -11.377 5.381 1.00 1.00 C ATOM 0 H MET A 23 4.875 -8.323 1.464 1.00 1.00 H new ATOM 0 HA MET A 23 6.690 -7.812 3.759 1.00 1.00 H new ATOM 0 HB2 MET A 23 7.427 -9.545 1.377 1.00 1.00 H new ATOM 0 HB3 MET A 23 8.190 -9.477 2.953 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.415 -10.604 2.332 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.829 -11.528 2.798 1.00 1.00 H new ATOM 0 HE1 MET A 23 7.123 -11.365 6.468 1.00 1.00 H new ATOM 0 HE2 MET A 23 7.068 -12.397 5.019 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.179 -11.008 5.081 1.00 1.00 H new ATOM 316 N GLU A 24 7.905 -6.099 2.462 1.00 1.00 N ATOM 317 CA GLU A 24 8.565 -5.016 1.741 1.00 1.00 C ATOM 318 C GLU A 24 9.918 -5.480 1.216 1.00 1.00 C ATOM 319 O GLU A 24 10.799 -5.854 1.989 1.00 1.00 O ATOM 320 CB GLU A 24 8.750 -3.812 2.672 1.00 1.00 C ATOM 321 CG GLU A 24 9.489 -2.694 1.942 1.00 1.00 C ATOM 322 CD GLU A 24 9.499 -1.437 2.805 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.178 -1.544 3.979 1.00 1.00 O ATOM 324 OE2 GLU A 24 9.828 -0.383 2.282 1.00 1.00 O ATOM 0 H GLU A 24 8.061 -6.090 3.470 1.00 1.00 H new ATOM 0 HA GLU A 24 7.943 -4.724 0.895 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.779 -3.454 3.014 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.310 -4.110 3.558 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.511 -3.004 1.721 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.005 -2.488 0.987 1.00 1.00 H new ATOM 331 N MET A 25 10.075 -5.455 -0.107 1.00 1.00 N ATOM 332 CA MET A 25 11.326 -5.880 -0.734 1.00 1.00 C ATOM 333 C MET A 25 12.199 -4.674 -1.054 1.00 1.00 C ATOM 334 O MET A 25 11.717 -3.665 -1.570 1.00 1.00 O ATOM 335 CB MET A 25 11.033 -6.635 -2.033 1.00 1.00 C ATOM 336 CG MET A 25 10.310 -7.949 -1.725 1.00 1.00 C ATOM 337 SD MET A 25 10.044 -8.860 -3.270 1.00 1.00 S ATOM 338 CE MET A 25 8.854 -7.723 -4.033 1.00 1.00 C ATOM 0 H MET A 25 9.356 -5.147 -0.762 1.00 1.00 H new ATOM 0 HA MET A 25 11.850 -6.533 -0.036 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.420 -6.019 -2.691 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.964 -6.838 -2.563 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.900 -8.549 -1.032 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.355 -7.747 -1.239 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.055 -8.295 -4.505 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.431 -7.072 -3.268 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.360 -7.118 -4.785 1.00 1.00 H new ATOM 348 N LYS A 26 13.494 -4.788 -0.760 1.00 1.00 N ATOM 349 CA LYS A 26 14.443 -3.709 -1.038 1.00 1.00 C ATOM 350 C LYS A 26 15.694 -4.280 -1.690 1.00 1.00 C ATOM 351 O LYS A 26 16.048 -5.439 -1.470 1.00 1.00 O ATOM 352 CB LYS A 26 14.832 -2.975 0.251 1.00 1.00 C ATOM 353 CG LYS A 26 13.607 -2.297 0.851 1.00 1.00 C ATOM 354 CD LYS A 26 14.018 -1.554 2.121 1.00 1.00 C ATOM 355 CE LYS A 26 12.788 -0.900 2.745 1.00 1.00 C ATOM 356 NZ LYS A 26 13.184 -0.184 3.990 1.00 1.00 N ATOM 0 H LYS A 26 13.910 -5.614 -0.330 1.00 1.00 H new ATOM 0 HA LYS A 26 13.964 -2.999 -1.712 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.256 -3.679 0.967 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.602 -2.233 0.039 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.173 -1.602 0.133 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.841 -3.038 1.080 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.474 -2.246 2.829 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.767 -0.797 1.887 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.337 -0.202 2.040 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.036 -1.656 2.971 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.444 0.499 4.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.305 -0.871 4.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.080 0.320 3.831 1.00 1.00 H new ATOM 370 N GLY A 27 16.353 -3.461 -2.496 1.00 1.00 N ATOM 371 CA GLY A 27 17.564 -3.878 -3.196 1.00 1.00 C ATOM 372 C GLY A 27 18.426 -4.839 -2.367 1.00 1.00 C ATOM 373 O GLY A 27 18.629 -5.989 -2.754 1.00 1.00 O ATOM 0 H GLY A 27 16.070 -2.499 -2.684 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.289 -4.360 -4.134 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.153 -2.997 -3.452 1.00 1.00 H new ATOM 377 N PRO A 28 18.960 -4.380 -1.262 1.00 1.00 N ATOM 378 CA PRO A 28 19.855 -5.210 -0.387 1.00 1.00 C ATOM 379 C PRO A 28 19.151 -6.423 0.246 1.00 1.00 C ATOM 380 O PRO A 28 19.770 -7.472 0.428 1.00 1.00 O ATOM 381 CB PRO A 28 20.346 -4.207 0.677 1.00 1.00 C ATOM 382 CG PRO A 28 19.310 -3.129 0.708 1.00 1.00 C ATOM 383 CD PRO A 28 18.769 -3.024 -0.717 1.00 1.00 C ATOM 0 HA PRO A 28 20.664 -5.666 -0.958 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.446 -4.685 1.652 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.325 -3.805 0.417 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.513 -3.373 1.411 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.742 -2.182 1.032 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.719 -2.733 -0.726 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.312 -2.278 -1.298 1.00 1.00 H new ATOM 391 N LEU A 29 17.866 -6.287 0.576 1.00 1.00 N ATOM 392 CA LEU A 29 17.118 -7.399 1.180 1.00 1.00 C ATOM 393 C LEU A 29 15.651 -7.015 1.361 1.00 1.00 C ATOM 394 O LEU A 29 15.227 -5.957 0.912 1.00 1.00 O ATOM 395 CB LEU A 29 17.724 -7.798 2.542 1.00 1.00 C ATOM 396 CG LEU A 29 18.154 -6.559 3.339 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.946 -5.649 3.594 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.744 -7.009 4.680 1.00 1.00 C ATOM 0 H LEU A 29 17.325 -5.433 0.440 1.00 1.00 H new ATOM 0 HA LEU A 29 17.185 -8.254 0.507 1.00 1.00 H new ATOM 0 HB2 LEU A 29 16.993 -8.368 3.116 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.584 -8.449 2.384 1.00 1.00 H new ATOM 0 HG LEU A 29 18.900 -6.005 2.769 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.263 -4.773 4.160 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.522 -5.331 2.641 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.193 -6.195 4.162 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.052 -6.135 5.253 1.00 1.00 H new ATOM 0 HD22 LEU A 29 17.992 -7.564 5.241 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.608 -7.649 4.501 1.00 1.00 H new ATOM 410 N ARG A 30 14.875 -7.880 2.025 1.00 1.00 N ATOM 411 CA ARG A 30 13.456 -7.606 2.264 1.00 1.00 C ATOM 412 C ARG A 30 13.159 -7.601 3.757 1.00 1.00 C ATOM 413 O ARG A 30 13.991 -8.009 4.569 1.00 1.00 O ATOM 414 CB ARG A 30 12.587 -8.655 1.571 1.00 1.00 C ATOM 415 CG ARG A 30 12.936 -10.055 2.077 1.00 1.00 C ATOM 416 CD ARG A 30 11.934 -11.045 1.494 1.00 1.00 C ATOM 417 NE ARG A 30 12.037 -11.074 0.038 1.00 1.00 N ATOM 418 CZ ARG A 30 11.146 -11.727 -0.708 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.194 -12.416 -0.141 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.232 -11.686 -2.010 1.00 1.00 N ATOM 0 H ARG A 30 15.204 -8.768 2.403 1.00 1.00 H new ATOM 0 HA ARG A 30 13.225 -6.623 1.853 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.534 -8.446 1.759 1.00 1.00 H new ATOM 0 HB3 ARG A 30 12.735 -8.604 0.492 1.00 1.00 H new ATOM 0 HG2 ARG A 30 13.950 -10.323 1.780 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.905 -10.082 3.166 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.119 -12.040 1.898 1.00 1.00 H new ATOM 0 HD3 ARG A 30 10.923 -10.765 1.788 1.00 1.00 H new ATOM 0 HE ARG A 30 12.807 -10.584 -0.418 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.130 -12.456 0.876 1.00 1.00 H new ATOM 0 HH12 ARG A 30 9.514 -12.914 -0.715 1.00 1.00 H new ATOM 0 HH21 ARG A 30 11.980 -11.155 -2.455 1.00 1.00 H new ATOM 0 HH22 ARG A 30 10.551 -12.185 -2.582 1.00 1.00 H new ATOM 434 N GLU A 31 11.968 -7.131 4.114 1.00 1.00 N ATOM 435 CA GLU A 31 11.560 -7.068 5.515 1.00 1.00 C ATOM 436 C GLU A 31 10.030 -7.121 5.612 1.00 1.00 C ATOM 437 O GLU A 31 9.354 -6.511 4.786 1.00 1.00 O ATOM 438 CB GLU A 31 12.064 -5.763 6.134 1.00 1.00 C ATOM 439 CG GLU A 31 11.458 -4.576 5.381 1.00 1.00 C ATOM 440 CD GLU A 31 12.123 -3.280 5.827 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.303 -3.119 5.558 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.445 -2.466 6.432 1.00 1.00 O ATOM 0 H GLU A 31 11.269 -6.789 3.455 1.00 1.00 H new ATOM 0 HA GLU A 31 11.985 -7.916 6.052 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.790 -5.718 7.188 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.152 -5.721 6.086 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.589 -4.711 4.307 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.385 -4.526 5.567 1.00 1.00 H new ATOM 449 N PRO A 32 9.448 -7.804 6.583 1.00 1.00 N ATOM 450 CA PRO A 32 7.959 -7.856 6.697 1.00 1.00 C ATOM 451 C PRO A 32 7.353 -6.453 6.781 1.00 1.00 C ATOM 452 O PRO A 32 7.949 -5.541 7.355 1.00 1.00 O ATOM 453 CB PRO A 32 7.699 -8.653 7.987 1.00 1.00 C ATOM 454 CG PRO A 32 8.957 -9.421 8.243 1.00 1.00 C ATOM 455 CD PRO A 32 10.101 -8.595 7.649 1.00 1.00 C ATOM 0 HA PRO A 32 7.498 -8.319 5.824 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.469 -7.988 8.819 1.00 1.00 H new ATOM 0 HB3 PRO A 32 6.847 -9.323 7.869 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.105 -9.577 9.312 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.910 -10.407 7.781 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.562 -7.952 8.399 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.889 -9.233 7.248 1.00 1.00 H new ATOM 463 N CYS A 33 6.170 -6.290 6.198 1.00 1.00 N ATOM 464 CA CYS A 33 5.497 -4.998 6.203 1.00 1.00 C ATOM 465 C CYS A 33 3.999 -5.171 5.957 1.00 1.00 C ATOM 466 O CYS A 33 3.504 -6.290 5.845 1.00 1.00 O ATOM 467 CB CYS A 33 6.099 -4.106 5.113 1.00 1.00 C ATOM 468 SG CYS A 33 5.435 -4.583 3.492 1.00 1.00 S ATOM 0 H CYS A 33 5.660 -7.032 5.719 1.00 1.00 H new ATOM 0 HA CYS A 33 5.637 -4.533 7.179 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.868 -3.060 5.317 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.185 -4.199 5.113 1.00 1.00 H new ATOM 0 HG CYS A 33 5.002 -3.526 2.872 1.00 1.00 H new ATOM 474 N ALA A 34 3.288 -4.053 5.862 1.00 1.00 N ATOM 475 CA ALA A 34 1.853 -4.084 5.608 1.00 1.00 C ATOM 476 C ALA A 34 1.404 -2.776 4.968 1.00 1.00 C ATOM 477 O ALA A 34 1.791 -1.694 5.409 1.00 1.00 O ATOM 478 CB ALA A 34 1.092 -4.314 6.915 1.00 1.00 C ATOM 0 H ALA A 34 3.681 -3.116 5.957 1.00 1.00 H new ATOM 0 HA ALA A 34 1.637 -4.904 4.923 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.021 -4.335 6.714 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.398 -5.265 7.352 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.314 -3.506 7.612 1.00 1.00 H new ATOM 484 N LEU A 35 0.587 -2.880 3.921 1.00 1.00 N ATOM 485 CA LEU A 35 0.091 -1.699 3.217 1.00 1.00 C ATOM 486 C LEU A 35 -1.358 -1.438 3.596 1.00 1.00 C ATOM 487 O LEU A 35 -2.195 -2.338 3.524 1.00 1.00 O ATOM 488 CB LEU A 35 0.195 -1.912 1.706 1.00 1.00 C ATOM 489 CG LEU A 35 1.620 -2.341 1.338 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.715 -2.518 -0.178 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.630 -1.278 1.800 1.00 1.00 C ATOM 0 H LEU A 35 0.255 -3.767 3.542 1.00 1.00 H new ATOM 0 HA LEU A 35 0.696 -0.839 3.502 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.517 -2.673 1.387 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.065 -0.993 1.181 1.00 1.00 H new ATOM 0 HG LEU A 35 1.852 -3.283 1.834 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.727 -2.823 -0.446 1.00 1.00 H new ATOM 0 HD12 LEU A 35 1.008 -3.283 -0.500 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.478 -1.575 -0.670 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.638 -1.594 1.533 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.407 -0.328 1.314 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.562 -1.157 2.881 1.00 1.00 H new ATOM 503 N THR A 36 -1.651 -0.205 4.012 1.00 1.00 N ATOM 504 CA THR A 36 -3.011 0.160 4.416 1.00 1.00 C ATOM 505 C THR A 36 -3.519 1.365 3.640 1.00 1.00 C ATOM 506 O THR A 36 -2.917 2.439 3.662 1.00 1.00 O ATOM 507 CB THR A 36 -3.041 0.458 5.918 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.579 -0.681 6.630 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.470 0.784 6.355 1.00 1.00 C ATOM 0 H THR A 36 -0.971 0.553 4.078 1.00 1.00 H new ATOM 0 HA THR A 36 -3.667 -0.682 4.194 1.00 1.00 H new ATOM 0 HB THR A 36 -2.398 1.312 6.129 1.00 1.00 H new ATOM 0 HG1 THR A 36 -1.928 -0.402 7.307 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.484 0.995 7.424 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.828 1.656 5.808 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.118 -0.067 6.144 1.00 1.00 H new ATOM 517 N LEU A 37 -4.655 1.175 2.972 1.00 1.00 N ATOM 518 CA LEU A 37 -5.280 2.243 2.202 1.00 1.00 C ATOM 519 C LEU A 37 -6.231 3.016 3.099 1.00 1.00 C ATOM 520 O LEU A 37 -7.089 2.428 3.755 1.00 1.00 O ATOM 521 CB LEU A 37 -6.044 1.643 1.012 1.00 1.00 C ATOM 522 CG LEU A 37 -6.769 2.748 0.225 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.764 3.811 -0.247 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.476 2.121 -0.990 1.00 1.00 C ATOM 0 H LEU A 37 -5.160 0.289 2.950 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.515 2.920 1.823 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.351 1.116 0.356 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.766 0.909 1.369 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.504 3.228 0.871 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.290 4.587 -0.803 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.271 4.255 0.618 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.018 3.346 -0.891 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.992 2.899 -1.552 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.738 1.639 -1.631 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.199 1.380 -0.648 1.00 1.00 H new ATOM 536 N ALA A 38 -6.068 4.336 3.141 1.00 1.00 N ATOM 537 CA ALA A 38 -6.919 5.168 3.986 1.00 1.00 C ATOM 538 C ALA A 38 -7.245 6.494 3.313 1.00 1.00 C ATOM 539 O ALA A 38 -6.457 7.019 2.525 1.00 1.00 O ATOM 540 CB ALA A 38 -6.219 5.433 5.321 1.00 1.00 C ATOM 0 H ALA A 38 -5.364 4.847 2.608 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.853 4.632 4.154 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.857 6.054 5.949 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -6.025 4.486 5.825 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.275 5.948 5.141 1.00 1.00 H new ATOM 546 N GLN A 39 -8.420 7.032 3.639 1.00 1.00 N ATOM 547 CA GLN A 39 -8.874 8.306 3.081 1.00 1.00 C ATOM 548 C GLN A 39 -8.773 9.404 4.137 1.00 1.00 C ATOM 549 O GLN A 39 -9.346 9.284 5.219 1.00 1.00 O ATOM 550 CB GLN A 39 -10.330 8.166 2.622 1.00 1.00 C ATOM 551 CG GLN A 39 -10.809 9.458 1.956 1.00 1.00 C ATOM 552 CD GLN A 39 -12.287 9.326 1.612 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.670 8.448 0.837 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.145 10.139 2.159 1.00 1.00 N ATOM 0 H GLN A 39 -9.078 6.603 4.290 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.245 8.573 2.232 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.419 7.335 1.922 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.966 7.933 3.476 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.653 10.305 2.624 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.229 9.653 1.054 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.823 10.864 2.800 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.139 10.050 1.946 1.00 1.00 H new ATOM 563 N ARG A 40 -8.046 10.481 3.825 1.00 1.00 N ATOM 564 CA ARG A 40 -7.891 11.593 4.772 1.00 1.00 C ATOM 565 C ARG A 40 -8.091 12.934 4.069 1.00 1.00 C ATOM 566 O ARG A 40 -7.514 13.189 3.012 1.00 1.00 O ATOM 567 CB ARG A 40 -6.507 11.530 5.428 1.00 1.00 C ATOM 568 CG ARG A 40 -6.400 12.613 6.504 1.00 1.00 C ATOM 569 CD ARG A 40 -5.117 12.413 7.317 1.00 1.00 C ATOM 570 NE ARG A 40 -5.091 13.339 8.448 1.00 1.00 N ATOM 571 CZ ARG A 40 -4.072 13.358 9.306 1.00 1.00 C ATOM 572 NH1 ARG A 40 -3.051 12.566 9.130 1.00 1.00 N ATOM 573 NH2 ARG A 40 -4.094 14.178 10.322 1.00 1.00 N ATOM 0 H ARG A 40 -7.561 10.608 2.937 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.653 11.502 5.546 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.347 10.547 5.870 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.730 11.672 4.677 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.398 13.600 6.041 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.268 12.572 7.162 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.061 11.386 7.677 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -4.246 12.576 6.683 1.00 1.00 H new ATOM 0 HE ARG A 40 -5.869 13.984 8.583 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.031 11.929 8.333 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -2.273 12.583 9.789 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -4.890 14.802 10.457 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -3.315 14.195 10.981 1.00 1.00 H new ATOM 587 N ASN A 41 -8.921 13.784 4.673 1.00 1.00 N ATOM 588 CA ASN A 41 -9.217 15.106 4.122 1.00 1.00 C ATOM 589 C ASN A 41 -9.868 15.010 2.742 1.00 1.00 C ATOM 590 O ASN A 41 -9.643 15.866 1.885 1.00 1.00 O ATOM 591 CB ASN A 41 -7.935 15.937 4.022 1.00 1.00 C ATOM 592 CG ASN A 41 -7.220 15.951 5.367 1.00 1.00 C ATOM 593 OD1 ASN A 41 -6.024 16.235 5.434 1.00 1.00 O ATOM 594 ND2 ASN A 41 -7.885 15.654 6.451 1.00 1.00 N ATOM 0 H ASN A 41 -9.402 13.579 5.549 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.920 15.591 4.799 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.280 15.521 3.257 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.174 16.956 3.717 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -7.414 15.657 7.355 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -8.876 15.419 6.393 1.00 1.00 H new ATOM 601 N GLY A 42 -10.686 13.981 2.533 1.00 1.00 N ATOM 602 CA GLY A 42 -11.367 13.813 1.251 1.00 1.00 C ATOM 603 C GLY A 42 -10.382 13.418 0.155 1.00 1.00 C ATOM 604 O GLY A 42 -10.613 13.676 -1.026 1.00 1.00 O ATOM 0 H GLY A 42 -10.892 13.260 3.224 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.139 13.049 1.343 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -11.868 14.742 0.977 1.00 1.00 H new ATOM 608 N GLN A 43 -9.279 12.799 0.562 1.00 1.00 N ATOM 609 CA GLN A 43 -8.240 12.368 -0.367 1.00 1.00 C ATOM 610 C GLN A 43 -7.797 10.949 -0.033 1.00 1.00 C ATOM 611 O GLN A 43 -7.825 10.548 1.124 1.00 1.00 O ATOM 612 CB GLN A 43 -7.054 13.330 -0.253 1.00 1.00 C ATOM 613 CG GLN A 43 -5.858 12.800 -1.044 1.00 1.00 C ATOM 614 CD GLN A 43 -4.746 13.842 -1.052 1.00 1.00 C ATOM 615 OE1 GLN A 43 -4.994 15.016 -0.782 1.00 1.00 O ATOM 616 NE2 GLN A 43 -3.526 13.480 -1.342 1.00 1.00 N ATOM 0 H GLN A 43 -9.080 12.583 1.539 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.627 12.376 -1.386 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.338 14.313 -0.627 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -6.779 13.455 0.794 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.497 11.873 -0.599 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.159 12.568 -2.065 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.323 12.506 -1.566 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -2.776 14.171 -1.345 1.00 1.00 H new ATOM 625 N TYR A 44 -7.375 10.196 -1.046 1.00 1.00 N ATOM 626 CA TYR A 44 -6.917 8.823 -0.831 1.00 1.00 C ATOM 627 C TYR A 44 -5.403 8.801 -0.668 1.00 1.00 C ATOM 628 O TYR A 44 -4.680 9.432 -1.440 1.00 1.00 O ATOM 629 CB TYR A 44 -7.308 7.951 -2.025 1.00 1.00 C ATOM 630 CG TYR A 44 -8.811 7.842 -2.113 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.552 8.862 -2.721 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.467 6.721 -1.588 1.00 1.00 C ATOM 633 CE1 TYR A 44 -10.945 8.764 -2.805 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.860 6.621 -1.673 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.600 7.643 -2.281 1.00 1.00 C ATOM 636 OH TYR A 44 -12.974 7.545 -2.365 1.00 1.00 O ATOM 0 H TYR A 44 -7.340 10.508 -2.016 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.386 8.433 0.073 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -6.912 8.381 -2.945 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.868 6.959 -1.921 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.047 9.727 -3.126 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.897 5.934 -1.117 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.515 9.553 -3.274 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.365 5.756 -1.270 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.268 6.705 -1.954 1.00 1.00 H new ATOM 646 N GLU A 45 -4.922 8.072 0.338 1.00 1.00 N ATOM 647 CA GLU A 45 -3.488 7.978 0.587 1.00 1.00 C ATOM 648 C GLU A 45 -3.121 6.576 1.064 1.00 1.00 C ATOM 649 O GLU A 45 -3.911 5.909 1.730 1.00 1.00 O ATOM 650 CB GLU A 45 -3.064 9.022 1.628 1.00 1.00 C ATOM 651 CG GLU A 45 -3.709 8.717 2.983 1.00 1.00 C ATOM 652 CD GLU A 45 -3.336 9.805 3.984 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.504 10.631 3.649 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.890 9.798 5.071 1.00 1.00 O ATOM 0 H GLU A 45 -5.501 7.542 0.989 1.00 1.00 H new ATOM 0 HA GLU A 45 -2.958 8.176 -0.345 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -1.979 9.026 1.727 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.357 10.017 1.294 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -4.792 8.662 2.877 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.375 7.745 3.346 1.00 1.00 H new ATOM 661 N LEU A 46 -1.918 6.132 0.708 1.00 1.00 N ATOM 662 CA LEU A 46 -1.446 4.798 1.088 1.00 1.00 C ATOM 663 C LEU A 46 -0.358 4.911 2.154 1.00 1.00 C ATOM 664 O LEU A 46 0.685 5.522 1.923 1.00 1.00 O ATOM 665 CB LEU A 46 -0.883 4.094 -0.154 1.00 1.00 C ATOM 666 CG LEU A 46 -0.809 2.577 0.067 1.00 1.00 C ATOM 667 CD1 LEU A 46 -0.384 1.906 -1.243 1.00 1.00 C ATOM 668 CD2 LEU A 46 0.210 2.244 1.171 1.00 1.00 C ATOM 0 H LEU A 46 -1.251 6.674 0.158 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.277 4.221 1.495 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.513 4.310 -1.017 1.00 1.00 H new ATOM 0 HB3 LEU A 46 0.110 4.482 -0.379 1.00 1.00 H new ATOM 0 HG LEU A 46 -1.788 2.210 0.376 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -0.328 0.827 -1.098 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.115 2.130 -2.020 1.00 1.00 H new ATOM 0 HD13 LEU A 46 0.593 2.283 -1.544 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.250 1.164 1.315 1.00 1.00 H new ATOM 0 HD22 LEU A 46 1.195 2.608 0.879 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -0.093 2.723 2.102 1.00 1.00 H new ATOM 680 N ILE A 47 -0.602 4.307 3.316 1.00 1.00 N ATOM 681 CA ILE A 47 0.372 4.333 4.407 1.00 1.00 C ATOM 682 C ILE A 47 1.163 3.033 4.428 1.00 1.00 C ATOM 683 O ILE A 47 0.585 1.946 4.440 1.00 1.00 O ATOM 684 CB ILE A 47 -0.340 4.499 5.753 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.137 5.806 5.759 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.702 4.533 6.877 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.011 5.865 7.015 1.00 1.00 C ATOM 0 H ILE A 47 -1.460 3.797 3.526 1.00 1.00 H new ATOM 0 HA ILE A 47 1.045 5.175 4.245 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.021 3.662 5.908 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.458 6.658 5.735 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.760 5.869 4.866 1.00 1.00 H new ATOM 0 HG21 ILE A 47 0.198 4.651 7.836 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.268 3.602 6.877 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.381 5.371 6.718 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.579 6.795 7.020 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.699 5.020 7.019 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.378 5.822 7.901 1.00 1.00 H new ATOM 699 N ILE A 48 2.488 3.146 4.438 1.00 1.00 N ATOM 700 CA ILE A 48 3.343 1.961 4.462 1.00 1.00 C ATOM 701 C ILE A 48 3.731 1.642 5.900 1.00 1.00 C ATOM 702 O ILE A 48 4.350 2.459 6.582 1.00 1.00 O ATOM 703 CB ILE A 48 4.609 2.217 3.646 1.00 1.00 C ATOM 704 CG1 ILE A 48 4.231 2.570 2.204 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.474 0.955 3.647 1.00 1.00 C ATOM 706 CD1 ILE A 48 5.441 3.181 1.496 1.00 1.00 C ATOM 0 H ILE A 48 2.989 4.034 4.430 1.00 1.00 H new ATOM 0 HA ILE A 48 2.798 1.121 4.032 1.00 1.00 H new ATOM 0 HB ILE A 48 5.163 3.045 4.088 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.899 1.677 1.675 1.00 1.00 H new ATOM 0 HG13 ILE A 48 3.398 3.273 2.197 1.00 1.00 H new ATOM 0 HG21 ILE A 48 6.379 1.133 3.066 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.745 0.701 4.672 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.915 0.130 3.204 1.00 1.00 H new ATOM 0 HD11 ILE A 48 5.173 3.433 0.470 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.753 4.084 2.022 1.00 1.00 H new ATOM 0 HD13 ILE A 48 6.261 2.463 1.491 1.00 1.00 H new ATOM 718 N GLN A 49 3.358 0.450 6.361 1.00 1.00 N ATOM 719 CA GLN A 49 3.663 0.033 7.731 1.00 1.00 C ATOM 720 C GLN A 49 4.754 -1.027 7.749 1.00 1.00 C ATOM 721 O GLN A 49 4.672 -2.030 7.044 1.00 1.00 O ATOM 722 CB GLN A 49 2.411 -0.534 8.395 1.00 1.00 C ATOM 723 CG GLN A 49 1.385 0.579 8.590 1.00 1.00 C ATOM 724 CD GLN A 49 0.218 0.066 9.425 1.00 1.00 C ATOM 725 OE1 GLN A 49 -0.564 -0.764 8.962 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.067 0.506 10.643 1.00 1.00 N ATOM 0 H GLN A 49 2.847 -0.241 5.812 1.00 1.00 H new ATOM 0 HA GLN A 49 4.011 0.909 8.278 1.00 1.00 H new ATOM 0 HB2 GLN A 49 1.988 -1.328 7.779 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.667 -0.979 9.357 1.00 1.00 H new ATOM 0 HG2 GLN A 49 1.850 1.432 9.084 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.026 0.928 7.622 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.718 1.194 11.021 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.702 0.162 11.218 1.00 1.00 H new ATOM 735 N LEU A 50 5.768 -0.806 8.579 1.00 1.00 N ATOM 736 CA LEU A 50 6.879 -1.753 8.719 1.00 1.00 C ATOM 737 C LEU A 50 6.800 -2.434 10.081 1.00 1.00 C ATOM 738 O LEU A 50 6.552 -1.788 11.097 1.00 1.00 O ATOM 739 CB LEU A 50 8.225 -1.018 8.576 1.00 1.00 C ATOM 740 CG LEU A 50 8.649 -0.967 7.102 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.572 -0.267 6.273 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.972 -0.204 6.984 1.00 1.00 C ATOM 0 H LEU A 50 5.847 0.022 9.169 1.00 1.00 H new ATOM 0 HA LEU A 50 6.807 -2.506 7.934 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.139 -0.006 8.972 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.989 -1.526 9.164 1.00 1.00 H new ATOM 0 HG LEU A 50 8.778 -1.982 6.727 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.881 -0.235 5.228 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.634 -0.816 6.358 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.433 0.749 6.641 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.278 -0.165 5.938 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.842 0.810 7.362 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.739 -0.713 7.567 1.00 1.00 H new ATOM 754 N HIS A 51 7.013 -3.747 10.091 1.00 1.00 N ATOM 755 CA HIS A 51 6.966 -4.516 11.332 1.00 1.00 C ATOM 756 C HIS A 51 8.371 -4.678 11.902 1.00 1.00 C ATOM 757 O HIS A 51 8.621 -5.567 12.714 1.00 1.00 O ATOM 758 CB HIS A 51 6.351 -5.892 11.069 1.00 1.00 C ATOM 759 CG HIS A 51 5.131 -5.738 10.202 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.065 -4.928 10.562 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.792 -6.286 8.989 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.145 -5.008 9.582 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.539 -5.824 8.600 1.00 1.00 N ATOM 0 H HIS A 51 7.219 -4.299 9.258 1.00 1.00 H new ATOM 0 HA HIS A 51 6.350 -3.981 12.055 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.078 -6.540 10.580 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.083 -6.369 12.012 1.00 1.00 H new ATOM 0 HD1 HIS A 51 3.991 -4.372 11.414 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.405 -6.972 8.423 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.204 -4.478 9.589 1.00 1.00 H new ATOM 771 N GLU A 52 9.281 -3.806 11.474 1.00 1.00 N ATOM 772 CA GLU A 52 10.657 -3.862 11.955 1.00 1.00 C ATOM 773 C GLU A 52 10.681 -3.973 13.476 1.00 1.00 C ATOM 774 O GLU A 52 9.908 -3.311 14.167 1.00 1.00 O ATOM 775 CB GLU A 52 11.423 -2.607 11.518 1.00 1.00 C ATOM 776 CG GLU A 52 11.760 -2.697 10.027 1.00 1.00 C ATOM 777 CD GLU A 52 12.422 -1.403 9.564 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.560 -0.508 10.381 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.782 -1.327 8.401 1.00 1.00 O ATOM 0 H GLU A 52 9.093 -3.061 10.803 1.00 1.00 H new ATOM 0 HA GLU A 52 11.137 -4.741 11.526 1.00 1.00 H new ATOM 0 HB2 GLU A 52 10.823 -1.718 11.711 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.338 -2.507 12.102 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.426 -3.541 9.846 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.853 -2.878 9.451 1.00 1.00 H new ATOM 786 N LYS A 53 11.569 -4.819 13.984 1.00 1.00 N ATOM 787 CA LYS A 53 11.683 -5.017 15.423 1.00 1.00 C ATOM 788 C LYS A 53 12.112 -3.722 16.106 1.00 1.00 C ATOM 789 O LYS A 53 11.641 -3.401 17.198 1.00 1.00 O ATOM 790 CB LYS A 53 12.703 -6.121 15.726 1.00 1.00 C ATOM 791 CG LYS A 53 12.297 -7.444 15.053 1.00 1.00 C ATOM 792 CD LYS A 53 10.947 -7.937 15.592 1.00 1.00 C ATOM 793 CE LYS A 53 10.776 -9.425 15.272 1.00 1.00 C ATOM 794 NZ LYS A 53 9.456 -9.893 15.783 1.00 1.00 N ATOM 0 H LYS A 53 12.216 -5.375 13.425 1.00 1.00 H new ATOM 0 HA LYS A 53 10.707 -5.314 15.808 1.00 1.00 H new ATOM 0 HB2 LYS A 53 13.689 -5.817 15.374 1.00 1.00 H new ATOM 0 HB3 LYS A 53 12.779 -6.265 16.804 1.00 1.00 H new ATOM 0 HG2 LYS A 53 12.234 -7.304 13.974 1.00 1.00 H new ATOM 0 HG3 LYS A 53 13.063 -8.199 15.232 1.00 1.00 H new ATOM 0 HD2 LYS A 53 10.895 -7.778 16.669 1.00 1.00 H new ATOM 0 HD3 LYS A 53 10.135 -7.363 15.146 1.00 1.00 H new ATOM 0 HE2 LYS A 53 10.840 -9.586 14.196 1.00 1.00 H new ATOM 0 HE3 LYS A 53 11.580 -10.001 15.729 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 9.338 -10.903 15.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 9.413 -9.752 16.813 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 8.695 -9.350 15.327 1.00 1.00 H new ATOM 808 N GLU A 54 13.011 -2.982 15.464 1.00 1.00 N ATOM 809 CA GLU A 54 13.496 -1.726 16.032 1.00 1.00 C ATOM 810 C GLU A 54 12.329 -0.795 16.329 1.00 1.00 C ATOM 811 O GLU A 54 12.194 -0.284 17.440 1.00 1.00 O ATOM 812 CB GLU A 54 14.439 -1.038 15.046 1.00 1.00 C ATOM 813 CG GLU A 54 15.626 -1.950 14.765 1.00 1.00 C ATOM 814 CD GLU A 54 16.576 -1.284 13.774 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.287 -0.174 13.362 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.578 -1.895 13.441 1.00 1.00 O ATOM 0 H GLU A 54 13.416 -3.226 14.560 1.00 1.00 H new ATOM 0 HA GLU A 54 14.027 -1.949 16.957 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.912 -0.811 14.119 1.00 1.00 H new ATOM 0 HB3 GLU A 54 14.784 -0.089 15.457 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.153 -2.171 15.693 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.277 -2.901 14.363 1.00 1.00 H new ATOM 823 N GLN A 55 11.488 -0.581 15.325 1.00 1.00 N ATOM 824 CA GLN A 55 10.326 0.293 15.485 1.00 1.00 C ATOM 825 C GLN A 55 9.420 0.226 14.258 1.00 1.00 C ATOM 826 O GLN A 55 9.872 -0.083 13.156 1.00 1.00 O ATOM 827 CB GLN A 55 10.788 1.738 15.706 1.00 1.00 C ATOM 828 CG GLN A 55 9.571 2.649 15.891 1.00 1.00 C ATOM 829 CD GLN A 55 10.023 4.049 16.290 1.00 1.00 C ATOM 830 OE1 GLN A 55 11.147 4.229 16.760 1.00 1.00 O ATOM 831 NE2 GLN A 55 9.212 5.059 16.128 1.00 1.00 N ATOM 0 H GLN A 55 11.584 -0.995 14.398 1.00 1.00 H new ATOM 0 HA GLN A 55 9.760 -0.047 16.352 1.00 1.00 H new ATOM 0 HB2 GLN A 55 11.432 1.793 16.584 1.00 1.00 H new ATOM 0 HB3 GLN A 55 11.380 2.075 14.855 1.00 1.00 H new ATOM 0 HG2 GLN A 55 8.996 2.693 14.966 1.00 1.00 H new ATOM 0 HG3 GLN A 55 8.912 2.239 16.656 1.00 1.00 H new ATOM 0 HE21 GLN A 55 8.281 4.908 15.739 1.00 1.00 H new ATOM 0 HE22 GLN A 55 9.509 5.999 16.391 1.00 1.00 H new ATOM 840 N HIS A 56 8.139 0.534 14.456 1.00 1.00 N ATOM 841 CA HIS A 56 7.181 0.522 13.356 1.00 1.00 C ATOM 842 C HIS A 56 7.257 1.838 12.588 1.00 1.00 C ATOM 843 O HIS A 56 6.738 2.860 13.037 1.00 1.00 O ATOM 844 CB HIS A 56 5.760 0.326 13.896 1.00 1.00 C ATOM 845 CG HIS A 56 5.607 -1.073 14.422 1.00 1.00 C ATOM 846 ND1 HIS A 56 6.078 -1.452 15.669 1.00 1.00 N ATOM 847 CD2 HIS A 56 5.034 -2.199 13.882 1.00 1.00 C ATOM 848 CE1 HIS A 56 5.784 -2.754 15.838 1.00 1.00 C ATOM 849 NE2 HIS A 56 5.147 -3.260 14.778 1.00 1.00 N ATOM 0 H HIS A 56 7.745 0.793 15.360 1.00 1.00 H new ATOM 0 HA HIS A 56 7.426 -0.303 12.687 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.559 1.047 14.689 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.032 0.510 13.106 1.00 1.00 H new ATOM 0 HD2 HIS A 56 4.567 -2.253 12.910 1.00 1.00 H new ATOM 0 HE1 HIS A 56 6.033 -3.321 16.723 1.00 1.00 H new ATOM 0 HE2 HIS A 56 4.815 -4.216 14.652 1.00 1.00 H new ATOM 857 N VAL A 57 7.910 1.805 11.429 1.00 1.00 N ATOM 858 CA VAL A 57 8.055 3.005 10.609 1.00 1.00 C ATOM 859 C VAL A 57 6.787 3.249 9.805 1.00 1.00 C ATOM 860 O VAL A 57 6.233 2.329 9.202 1.00 1.00 O ATOM 861 CB VAL A 57 9.237 2.858 9.657 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.557 4.212 9.020 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.457 2.356 10.433 1.00 1.00 C ATOM 0 H VAL A 57 8.344 0.968 11.039 1.00 1.00 H new ATOM 0 HA VAL A 57 8.231 3.853 11.271 1.00 1.00 H new ATOM 0 HB VAL A 57 8.984 2.143 8.874 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.402 4.104 8.340 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.689 4.568 8.465 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.809 4.931 9.800 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.302 2.251 9.753 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.709 3.070 11.217 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.230 1.389 10.882 1.00 1.00 H new ATOM 873 N GLN A 58 6.332 4.497 9.801 1.00 1.00 N ATOM 874 CA GLN A 58 5.118 4.876 9.072 1.00 1.00 C ATOM 875 C GLN A 58 5.421 5.973 8.055 1.00 1.00 C ATOM 876 O GLN A 58 5.651 7.128 8.416 1.00 1.00 O ATOM 877 CB GLN A 58 4.066 5.378 10.064 1.00 1.00 C ATOM 878 CG GLN A 58 2.753 5.663 9.329 1.00 1.00 C ATOM 879 CD GLN A 58 1.702 6.154 10.319 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.989 7.006 11.160 1.00 1.00 O ATOM 881 NE2 GLN A 58 0.495 5.661 10.272 1.00 1.00 N ATOM 0 H GLN A 58 6.783 5.268 10.294 1.00 1.00 H new ATOM 0 HA GLN A 58 4.742 4.002 8.541 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.903 4.633 10.843 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.421 6.283 10.557 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.915 6.413 8.555 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.402 4.760 8.830 1.00 1.00 H new ATOM 0 HE21 GLN A 58 0.259 4.955 9.574 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -0.213 5.981 10.933 1.00 1.00 H new ATOM 890 N ASP A 59 5.402 5.601 6.776 1.00 1.00 N ATOM 891 CA ASP A 59 5.655 6.551 5.691 1.00 1.00 C ATOM 892 C ASP A 59 4.334 6.966 5.055 1.00 1.00 C ATOM 893 O ASP A 59 3.547 6.115 4.641 1.00 1.00 O ATOM 894 CB ASP A 59 6.559 5.916 4.633 1.00 1.00 C ATOM 895 CG ASP A 59 7.115 6.989 3.702 1.00 1.00 C ATOM 896 OD1 ASP A 59 6.586 8.090 3.715 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.062 6.698 2.993 1.00 1.00 O ATOM 0 H ASP A 59 5.214 4.648 6.464 1.00 1.00 H new ATOM 0 HA ASP A 59 6.153 7.430 6.100 1.00 1.00 H new ATOM 0 HB2 ASP A 59 7.378 5.384 5.116 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.997 5.181 4.057 1.00 1.00 H new ATOM 902 N ILE A 60 4.086 8.271 4.988 1.00 1.00 N ATOM 903 CA ILE A 60 2.843 8.771 4.409 1.00 1.00 C ATOM 904 C ILE A 60 3.036 9.058 2.924 1.00 1.00 C ATOM 905 O ILE A 60 3.673 10.041 2.548 1.00 1.00 O ATOM 906 CB ILE A 60 2.429 10.057 5.125 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.387 9.813 6.644 1.00 1.00 C ATOM 908 CG2 ILE A 60 1.055 10.512 4.628 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.451 8.644 6.981 1.00 1.00 C ATOM 0 H ILE A 60 4.722 8.995 5.324 1.00 1.00 H new ATOM 0 HA ILE A 60 2.066 8.016 4.529 1.00 1.00 H new ATOM 0 HB ILE A 60 3.157 10.839 4.909 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.391 9.599 7.011 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.048 10.715 7.153 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.767 11.429 5.143 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.099 10.697 3.555 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.319 9.735 4.832 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.436 8.489 8.060 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.443 8.873 6.634 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.808 7.739 6.489 1.00 1.00 H new ATOM 921 N ILE A 61 2.478 8.186 2.083 1.00 1.00 N ATOM 922 CA ILE A 61 2.587 8.334 0.629 1.00 1.00 C ATOM 923 C ILE A 61 1.197 8.589 0.019 1.00 1.00 C ATOM 924 O ILE A 61 0.374 7.675 -0.017 1.00 1.00 O ATOM 925 CB ILE A 61 3.167 7.050 0.029 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.461 6.663 0.763 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.464 7.264 -1.458 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.448 7.837 0.774 1.00 1.00 C ATOM 0 H ILE A 61 1.946 7.369 2.383 1.00 1.00 H new ATOM 0 HA ILE A 61 3.240 9.178 0.407 1.00 1.00 H new ATOM 0 HB ILE A 61 2.440 6.246 0.142 1.00 1.00 H new ATOM 0 HG12 ILE A 61 4.230 6.366 1.786 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.918 5.801 0.276 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.877 6.349 -1.882 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.542 7.522 -1.980 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.185 8.074 -1.572 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.357 7.543 1.298 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.694 8.115 -0.251 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.995 8.688 1.283 1.00 1.00 H new ATOM 940 N PRO A 62 0.899 9.788 -0.448 1.00 1.00 N ATOM 941 CA PRO A 62 -0.439 10.089 -1.037 1.00 1.00 C ATOM 942 C PRO A 62 -0.614 9.482 -2.428 1.00 1.00 C ATOM 943 O PRO A 62 0.334 9.402 -3.210 1.00 1.00 O ATOM 944 CB PRO A 62 -0.483 11.622 -1.065 1.00 1.00 C ATOM 945 CG PRO A 62 0.944 12.043 -1.205 1.00 1.00 C ATOM 946 CD PRO A 62 1.781 10.976 -0.484 1.00 1.00 C ATOM 0 HA PRO A 62 -1.255 9.655 -0.459 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -1.086 11.985 -1.897 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.926 12.022 -0.153 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.227 12.115 -2.255 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.104 13.027 -0.764 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.708 10.768 -1.019 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.057 11.298 0.520 1.00 1.00 H new ATOM 954 N ILE A 63 -1.840 9.055 -2.726 1.00 1.00 N ATOM 955 CA ILE A 63 -2.146 8.454 -4.019 1.00 1.00 C ATOM 956 C ILE A 63 -2.424 9.535 -5.058 1.00 1.00 C ATOM 957 O ILE A 63 -3.303 10.376 -4.873 1.00 1.00 O ATOM 958 CB ILE A 63 -3.364 7.533 -3.881 1.00 1.00 C ATOM 959 CG1 ILE A 63 -2.991 6.350 -2.981 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.786 7.008 -5.255 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.249 5.578 -2.580 1.00 1.00 C ATOM 0 H ILE A 63 -2.635 9.115 -2.090 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.287 7.871 -4.350 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.192 8.092 -3.446 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.300 5.689 -3.504 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.476 6.709 -2.090 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.652 6.355 -5.145 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.044 7.847 -5.901 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.963 6.448 -5.699 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -3.973 4.739 -1.941 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.925 6.240 -2.039 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.747 5.204 -3.475 1.00 1.00 H new ATOM 973 N ASN A 64 -1.666 9.499 -6.150 1.00 1.00 N ATOM 974 CA ASN A 64 -1.824 10.476 -7.222 1.00 1.00 C ATOM 975 C ASN A 64 -0.917 10.122 -8.398 1.00 1.00 C ATOM 976 O ASN A 64 -0.445 8.991 -8.513 1.00 1.00 O ATOM 977 CB ASN A 64 -1.486 11.879 -6.714 1.00 1.00 C ATOM 978 CG ASN A 64 -0.044 11.923 -6.227 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.739 11.018 -6.519 1.00 1.00 O ATOM 980 ND2 ASN A 64 0.357 12.926 -5.495 1.00 1.00 N ATOM 0 H ASN A 64 -0.937 8.805 -6.316 1.00 1.00 H new ATOM 0 HA ASN A 64 -2.862 10.459 -7.555 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.632 12.608 -7.511 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.161 12.154 -5.903 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.321 12.962 -5.163 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.293 13.674 -5.255 1.00 1.00 H new ATOM 987 N SER A 65 -0.680 11.096 -9.271 1.00 1.00 N ATOM 988 CA SER A 65 0.165 10.875 -10.438 1.00 1.00 C ATOM 989 C SER A 65 1.572 10.443 -10.026 1.00 1.00 C ATOM 990 O SER A 65 2.168 9.569 -10.655 1.00 1.00 O ATOM 991 CB SER A 65 0.249 12.153 -11.270 1.00 1.00 C ATOM 992 OG SER A 65 -1.056 12.527 -11.690 1.00 1.00 O ATOM 0 H SER A 65 -1.059 12.040 -9.193 1.00 1.00 H new ATOM 0 HA SER A 65 -0.282 10.078 -11.032 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.698 12.954 -10.683 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.891 11.995 -12.137 1.00 1.00 H new ATOM 0 HG SER A 65 -1.005 13.348 -12.223 1.00 1.00 H new ATOM 998 N HIS A 66 2.101 11.062 -8.975 1.00 1.00 N ATOM 999 CA HIS A 66 3.443 10.728 -8.504 1.00 1.00 C ATOM 1000 C HIS A 66 3.497 9.296 -7.973 1.00 1.00 C ATOM 1001 O HIS A 66 4.469 8.577 -8.205 1.00 1.00 O ATOM 1002 CB HIS A 66 3.871 11.702 -7.405 1.00 1.00 C ATOM 1003 CG HIS A 66 4.024 13.081 -7.985 1.00 1.00 C ATOM 1004 ND1 HIS A 66 5.038 13.401 -8.874 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.302 14.236 -7.809 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.901 14.701 -9.198 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.857 15.258 -8.575 1.00 1.00 N ATOM 0 H HIS A 66 1.629 11.789 -8.438 1.00 1.00 H new ATOM 0 HA HIS A 66 4.128 10.809 -9.348 1.00 1.00 H new ATOM 0 HB2 HIS A 66 3.130 11.713 -6.606 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.812 11.376 -6.963 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.435 14.336 -7.173 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.554 15.229 -9.877 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.536 16.224 -8.646 1.00 1.00 H new ATOM 1015 N PHE A 67 2.447 8.885 -7.263 1.00 1.00 N ATOM 1016 CA PHE A 67 2.379 7.533 -6.704 1.00 1.00 C ATOM 1017 C PHE A 67 1.663 6.596 -7.675 1.00 1.00 C ATOM 1018 O PHE A 67 0.514 6.837 -8.046 1.00 1.00 O ATOM 1019 CB PHE A 67 1.630 7.566 -5.362 1.00 1.00 C ATOM 1020 CG PHE A 67 1.268 6.159 -4.928 1.00 1.00 C ATOM 1021 CD1 PHE A 67 2.157 5.403 -4.152 1.00 1.00 C ATOM 1022 CD2 PHE A 67 0.036 5.615 -5.308 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.808 4.103 -3.759 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.310 4.319 -4.916 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.576 3.562 -4.141 1.00 1.00 C ATOM 0 H PHE A 67 1.633 9.466 -7.061 1.00 1.00 H new ATOM 0 HA PHE A 67 3.392 7.164 -6.543 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.252 8.040 -4.602 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.727 8.169 -5.456 1.00 1.00 H new ATOM 0 HD1 PHE A 67 3.108 5.821 -3.857 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -0.649 6.198 -5.906 1.00 1.00 H new ATOM 0 HE1 PHE A 67 2.491 3.519 -3.161 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.261 3.902 -5.211 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.309 2.560 -3.838 1.00 1.00 H new ATOM 1035 N ARG A 68 2.344 5.520 -8.075 1.00 1.00 N ATOM 1036 CA ARG A 68 1.754 4.546 -8.997 1.00 1.00 C ATOM 1037 C ARG A 68 2.129 3.123 -8.599 1.00 1.00 C ATOM 1038 O ARG A 68 3.281 2.707 -8.726 1.00 1.00 O ATOM 1039 CB ARG A 68 2.222 4.834 -10.438 1.00 1.00 C ATOM 1040 CG ARG A 68 1.347 5.928 -11.079 1.00 1.00 C ATOM 1041 CD ARG A 68 0.079 5.312 -11.688 1.00 1.00 C ATOM 1042 NE ARG A 68 -0.827 6.375 -12.120 1.00 1.00 N ATOM 1043 CZ ARG A 68 -2.150 6.208 -12.111 1.00 1.00 C ATOM 1044 NH1 ARG A 68 -2.660 5.057 -11.769 1.00 1.00 N ATOM 1045 NH2 ARG A 68 -2.933 7.195 -12.452 1.00 1.00 N ATOM 0 H ARG A 68 3.295 5.302 -7.779 1.00 1.00 H new ATOM 0 HA ARG A 68 0.669 4.639 -8.947 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.265 5.151 -10.432 1.00 1.00 H new ATOM 0 HB3 ARG A 68 2.169 3.922 -11.033 1.00 1.00 H new ATOM 0 HG2 ARG A 68 1.074 6.670 -10.329 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.913 6.449 -11.851 1.00 1.00 H new ATOM 0 HD2 ARG A 68 0.342 4.678 -12.535 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -0.416 4.675 -10.955 1.00 1.00 H new ATOM 0 HE ARG A 68 -0.439 7.264 -12.435 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -2.047 4.285 -11.508 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -3.672 4.929 -11.762 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -2.533 8.093 -12.725 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -3.945 7.069 -12.446 1.00 1.00 H new ATOM 1059 N CYS A 69 1.127 2.377 -8.144 1.00 1.00 N ATOM 1060 CA CYS A 69 1.312 0.983 -7.747 1.00 1.00 C ATOM 1061 C CYS A 69 0.782 0.077 -8.852 1.00 1.00 C ATOM 1062 O CYS A 69 -0.422 0.030 -9.098 1.00 1.00 O ATOM 1063 CB CYS A 69 0.550 0.710 -6.446 1.00 1.00 C ATOM 1064 SG CYS A 69 -1.050 1.550 -6.499 1.00 1.00 S ATOM 0 H CYS A 69 0.171 2.717 -8.040 1.00 1.00 H new ATOM 0 HA CYS A 69 2.372 0.785 -7.586 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.406 -0.362 -6.314 1.00 1.00 H new ATOM 0 HB3 CYS A 69 1.129 1.061 -5.592 1.00 1.00 H new ATOM 0 HG CYS A 69 -0.874 2.829 -6.344 1.00 1.00 H new ATOM 1070 N VAL A 70 1.686 -0.634 -9.526 1.00 1.00 N ATOM 1071 CA VAL A 70 1.293 -1.528 -10.620 1.00 1.00 C ATOM 1072 C VAL A 70 1.612 -2.978 -10.274 1.00 1.00 C ATOM 1073 O VAL A 70 2.730 -3.303 -9.877 1.00 1.00 O ATOM 1074 CB VAL A 70 2.029 -1.133 -11.905 1.00 1.00 C ATOM 1075 CG1 VAL A 70 1.420 0.154 -12.468 1.00 1.00 C ATOM 1076 CG2 VAL A 70 3.512 -0.897 -11.602 1.00 1.00 C ATOM 0 H VAL A 70 2.688 -0.610 -9.337 1.00 1.00 H new ATOM 0 HA VAL A 70 0.218 -1.434 -10.771 1.00 1.00 H new ATOM 0 HB VAL A 70 1.931 -1.937 -12.634 1.00 1.00 H new ATOM 0 HG11 VAL A 70 1.944 0.435 -13.382 1.00 1.00 H new ATOM 0 HG12 VAL A 70 0.365 -0.009 -12.690 1.00 1.00 H new ATOM 0 HG13 VAL A 70 1.517 0.954 -11.734 1.00 1.00 H new ATOM 0 HG21 VAL A 70 4.031 -0.617 -12.519 1.00 1.00 H new ATOM 0 HG22 VAL A 70 3.611 -0.096 -10.870 1.00 1.00 H new ATOM 0 HG23 VAL A 70 3.951 -1.811 -11.202 1.00 1.00 H new ATOM 1086 N GLN A 71 0.613 -3.843 -10.433 1.00 1.00 N ATOM 1087 CA GLN A 71 0.780 -5.260 -10.137 1.00 1.00 C ATOM 1088 C GLN A 71 1.588 -5.940 -11.237 1.00 1.00 C ATOM 1089 O GLN A 71 1.193 -5.938 -12.402 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.598 -5.926 -10.028 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.451 -7.376 -9.564 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.820 -8.054 -9.550 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -2.464 -8.171 -10.592 1.00 1.00 O ATOM 1094 NE2 GLN A 71 -2.307 -8.507 -8.427 1.00 1.00 N ATOM 0 H GLN A 71 -0.317 -3.587 -10.764 1.00 1.00 H new ATOM 0 HA GLN A 71 1.314 -5.362 -9.192 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -1.222 -5.374 -9.325 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -1.102 -5.895 -10.994 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.225 -7.914 -10.229 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -0.009 -7.406 -8.568 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.773 -8.410 -7.563 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -3.222 -8.958 -8.413 1.00 1.00 H new ATOM 1103 N GLU A 72 2.721 -6.518 -10.854 1.00 1.00 N ATOM 1104 CA GLU A 72 3.585 -7.201 -11.810 1.00 1.00 C ATOM 1105 C GLU A 72 3.829 -6.333 -13.036 1.00 1.00 C ATOM 1106 O GLU A 72 4.812 -5.597 -13.110 1.00 1.00 O ATOM 1107 CB GLU A 72 2.952 -8.529 -12.229 1.00 1.00 C ATOM 1108 CG GLU A 72 2.948 -9.485 -11.033 1.00 1.00 C ATOM 1109 CD GLU A 72 2.243 -10.786 -11.399 1.00 1.00 C ATOM 1110 OE1 GLU A 72 1.762 -10.887 -12.515 1.00 1.00 O ATOM 1111 OE2 GLU A 72 2.196 -11.666 -10.555 1.00 1.00 O ATOM 0 H GLU A 72 3.062 -6.528 -9.893 1.00 1.00 H new ATOM 0 HA GLU A 72 4.544 -7.394 -11.329 1.00 1.00 H new ATOM 0 HB2 GLU A 72 1.934 -8.365 -12.582 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.510 -8.966 -13.057 1.00 1.00 H new ATOM 0 HG2 GLU A 72 3.972 -9.693 -10.722 1.00 1.00 H new ATOM 0 HG3 GLU A 72 2.446 -9.017 -10.186 1.00 1.00 H new ATOM 1118 N ALA A 73 2.929 -6.432 -13.989 1.00 1.00 N ATOM 1119 CA ALA A 73 3.035 -5.657 -15.222 1.00 1.00 C ATOM 1120 C ALA A 73 2.747 -4.181 -14.961 1.00 1.00 C ATOM 1121 O ALA A 73 2.021 -3.831 -14.030 1.00 1.00 O ATOM 1122 CB ALA A 73 2.058 -6.193 -16.268 1.00 1.00 C ATOM 0 H ALA A 73 2.112 -7.040 -13.941 1.00 1.00 H new ATOM 0 HA ALA A 73 4.054 -5.754 -15.597 1.00 1.00 H new ATOM 0 HB1 ALA A 73 2.147 -5.607 -17.183 1.00 1.00 H new ATOM 0 HB2 ALA A 73 2.290 -7.236 -16.482 1.00 1.00 H new ATOM 0 HB3 ALA A 73 1.040 -6.119 -15.887 1.00 1.00 H new ATOM 1128 N GLU A 74 3.326 -3.321 -15.791 1.00 1.00 N ATOM 1129 CA GLU A 74 3.131 -1.882 -15.648 1.00 1.00 C ATOM 1130 C GLU A 74 1.666 -1.516 -15.862 1.00 1.00 C ATOM 1131 O GLU A 74 1.156 -0.581 -15.244 1.00 1.00 O ATOM 1132 CB GLU A 74 3.990 -1.134 -16.671 1.00 1.00 C ATOM 1133 CG GLU A 74 5.472 -1.377 -16.383 1.00 1.00 C ATOM 1134 CD GLU A 74 5.855 -0.761 -15.041 1.00 1.00 C ATOM 1135 OE1 GLU A 74 5.130 0.105 -14.582 1.00 1.00 O ATOM 1136 OE2 GLU A 74 6.867 -1.165 -14.493 1.00 1.00 O ATOM 0 H GLU A 74 3.931 -3.592 -16.566 1.00 1.00 H new ATOM 0 HA GLU A 74 3.427 -1.595 -14.639 1.00 1.00 H new ATOM 0 HB2 GLU A 74 3.746 -1.470 -17.679 1.00 1.00 H new ATOM 0 HB3 GLU A 74 3.773 -0.067 -16.630 1.00 1.00 H new ATOM 0 HG2 GLU A 74 5.677 -2.447 -16.372 1.00 1.00 H new ATOM 0 HG3 GLU A 74 6.080 -0.944 -17.177 1.00 1.00 H new ATOM 1143 N GLU A 75 1.001 -2.246 -16.750 1.00 1.00 N ATOM 1144 CA GLU A 75 -0.401 -1.978 -17.043 1.00 1.00 C ATOM 1145 C GLU A 75 -1.237 -1.999 -15.776 1.00 1.00 C ATOM 1146 O GLU A 75 -1.719 -0.966 -15.332 1.00 1.00 O ATOM 1147 CB GLU A 75 -0.932 -3.019 -18.029 1.00 1.00 C ATOM 1148 CG GLU A 75 -0.171 -2.903 -19.350 1.00 1.00 C ATOM 1149 CD GLU A 75 -0.470 -1.561 -20.012 1.00 1.00 C ATOM 1150 OE1 GLU A 75 -1.483 -0.971 -19.672 1.00 1.00 O ATOM 1151 OE2 GLU A 75 0.315 -1.144 -20.846 1.00 1.00 O ATOM 0 H GLU A 75 1.406 -3.021 -17.275 1.00 1.00 H new ATOM 0 HA GLU A 75 -0.474 -0.984 -17.485 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -0.814 -4.021 -17.616 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -1.998 -2.867 -18.196 1.00 1.00 H new ATOM 0 HG2 GLU A 75 0.900 -2.998 -19.171 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -0.457 -3.717 -20.016 1.00 1.00 H new ATOM 1158 N THR A 76 -1.403 -3.187 -15.225 1.00 1.00 N ATOM 1159 CA THR A 76 -2.189 -3.398 -14.014 1.00 1.00 C ATOM 1160 C THR A 76 -3.679 -3.276 -14.315 1.00 1.00 C ATOM 1161 O THR A 76 -4.515 -3.866 -13.631 1.00 1.00 O ATOM 1162 CB THR A 76 -1.790 -2.383 -12.948 1.00 1.00 C ATOM 1163 OG1 THR A 76 -0.375 -2.296 -12.891 1.00 1.00 O ATOM 1164 CG2 THR A 76 -2.337 -2.816 -11.587 1.00 1.00 C ATOM 0 H THR A 76 -0.995 -4.041 -15.604 1.00 1.00 H new ATOM 0 HA THR A 76 -1.989 -4.403 -13.643 1.00 1.00 H new ATOM 0 HB THR A 76 -2.205 -1.408 -13.202 1.00 1.00 H new ATOM 0 HG1 THR A 76 0.012 -3.192 -12.983 1.00 1.00 H new ATOM 0 HG21 THR A 76 -2.048 -2.087 -10.830 1.00 1.00 H new ATOM 0 HG22 THR A 76 -3.424 -2.878 -11.635 1.00 1.00 H new ATOM 0 HG23 THR A 76 -1.929 -3.792 -11.325 1.00 1.00 H new ATOM 1172 N LEU A 77 -3.999 -2.510 -15.348 1.00 1.00 N ATOM 1173 CA LEU A 77 -5.389 -2.312 -15.744 1.00 1.00 C ATOM 1174 C LEU A 77 -6.017 -3.615 -16.238 1.00 1.00 C ATOM 1175 O LEU A 77 -7.170 -3.913 -15.930 1.00 1.00 O ATOM 1176 CB LEU A 77 -5.468 -1.261 -16.855 1.00 1.00 C ATOM 1177 CG LEU A 77 -4.716 0.006 -16.433 1.00 1.00 C ATOM 1178 CD1 LEU A 77 -4.805 1.043 -17.554 1.00 1.00 C ATOM 1179 CD2 LEU A 77 -5.327 0.580 -15.144 1.00 1.00 C ATOM 0 H LEU A 77 -3.319 -2.016 -15.926 1.00 1.00 H new ATOM 0 HA LEU A 77 -5.942 -1.972 -14.868 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -5.039 -1.659 -17.775 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -6.510 -1.022 -17.067 1.00 1.00 H new ATOM 0 HG LEU A 77 -3.671 -0.242 -16.245 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -4.271 1.946 -17.258 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -4.357 0.638 -18.461 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.851 1.285 -17.743 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -4.785 1.480 -14.854 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -6.374 0.827 -15.317 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -5.256 -0.160 -14.347 1.00 1.00 H new ATOM 1191 N LEU A 78 -5.259 -4.382 -17.018 1.00 1.00 N ATOM 1192 CA LEU A 78 -5.765 -5.636 -17.558 1.00 1.00 C ATOM 1193 C LEU A 78 -5.998 -6.649 -16.446 1.00 1.00 C ATOM 1194 O LEU A 78 -6.998 -7.365 -16.460 1.00 1.00 O ATOM 1195 CB LEU A 78 -4.789 -6.209 -18.591 1.00 1.00 C ATOM 1196 CG LEU A 78 -4.458 -5.147 -19.648 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -3.479 -5.737 -20.670 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -5.740 -4.698 -20.366 1.00 1.00 C ATOM 0 H LEU A 78 -4.301 -4.158 -17.287 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.717 -5.432 -18.047 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -3.875 -6.538 -18.096 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -5.226 -7.086 -19.069 1.00 1.00 H new ATOM 0 HG LEU A 78 -4.006 -4.284 -19.159 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -3.242 -4.985 -21.423 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -2.564 -6.044 -20.163 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -3.934 -6.602 -21.152 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -5.493 -3.944 -21.114 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.203 -5.556 -20.854 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -6.434 -4.275 -19.640 1.00 1.00 H new ATOM 1210 N ILE A 79 -5.071 -6.710 -15.484 1.00 1.00 N ATOM 1211 CA ILE A 79 -5.191 -7.654 -14.369 1.00 1.00 C ATOM 1212 C ILE A 79 -5.238 -6.916 -13.036 1.00 1.00 C ATOM 1213 O ILE A 79 -4.405 -6.054 -12.759 1.00 1.00 O ATOM 1214 CB ILE A 79 -4.004 -8.620 -14.359 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -3.915 -9.364 -15.705 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -4.171 -9.629 -13.213 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -5.223 -10.110 -16.015 1.00 1.00 C ATOM 0 H ILE A 79 -4.237 -6.123 -15.455 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.118 -8.211 -14.504 1.00 1.00 H new ATOM 0 HB ILE A 79 -3.084 -8.054 -14.210 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -3.701 -8.653 -16.503 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -3.087 -10.072 -15.678 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -3.325 -10.316 -13.207 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -4.213 -9.097 -12.263 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -5.094 -10.191 -13.355 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -5.130 -10.625 -16.971 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -5.422 -10.838 -15.228 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.045 -9.397 -16.066 1.00 1.00 H new ATOM 1229 N ASP A 80 -6.219 -7.273 -12.215 1.00 1.00 N ATOM 1230 CA ASP A 80 -6.382 -6.653 -10.904 1.00 1.00 C ATOM 1231 C ASP A 80 -7.475 -7.371 -10.117 1.00 1.00 C ATOM 1232 O ASP A 80 -7.368 -7.547 -8.904 1.00 1.00 O ATOM 1233 CB ASP A 80 -6.756 -5.179 -11.067 1.00 1.00 C ATOM 1234 CG ASP A 80 -6.541 -4.437 -9.754 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -5.417 -4.037 -9.503 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -7.503 -4.278 -9.019 1.00 1.00 O ATOM 0 H ASP A 80 -6.913 -7.988 -12.433 1.00 1.00 H new ATOM 0 HA ASP A 80 -5.440 -6.729 -10.361 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -6.151 -4.727 -11.853 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -7.797 -5.092 -11.377 1.00 1.00 H new ATOM 1241 N ILE A 81 -8.528 -7.782 -10.821 1.00 1.00 N ATOM 1242 CA ILE A 81 -9.652 -8.485 -10.196 1.00 1.00 C ATOM 1243 C ILE A 81 -9.731 -9.922 -10.704 1.00 1.00 C ATOM 1244 O ILE A 81 -10.063 -10.841 -9.952 1.00 1.00 O ATOM 1245 CB ILE A 81 -10.960 -7.757 -10.521 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -10.827 -6.267 -10.168 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -12.116 -8.375 -9.725 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -10.384 -6.095 -8.707 1.00 1.00 C ATOM 0 H ILE A 81 -8.628 -7.641 -11.826 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.498 -8.500 -9.117 1.00 1.00 H new ATOM 0 HB ILE A 81 -11.167 -7.858 -11.586 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -10.103 -5.794 -10.831 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -11.781 -5.764 -10.326 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -13.042 -7.851 -9.962 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -12.217 -9.428 -9.988 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.912 -8.286 -8.658 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.295 -5.033 -8.476 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.123 -6.549 -8.047 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -9.419 -6.580 -8.560 1.00 1.00 H new ATOM 1260 N ALA A 82 -9.431 -10.105 -11.986 1.00 1.00 N ATOM 1261 CA ALA A 82 -9.479 -11.432 -12.590 1.00 1.00 C ATOM 1262 C ALA A 82 -8.561 -12.400 -11.850 1.00 1.00 C ATOM 1263 O ALA A 82 -8.959 -13.518 -11.524 1.00 1.00 O ATOM 1264 CB ALA A 82 -9.056 -11.353 -14.058 1.00 1.00 C ATOM 0 H ALA A 82 -9.154 -9.358 -12.623 1.00 1.00 H new ATOM 0 HA ALA A 82 -10.503 -11.799 -12.522 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -9.094 -12.348 -14.502 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -9.732 -10.689 -14.596 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -8.039 -10.966 -14.123 1.00 1.00 H new ATOM 1270 N SER A 83 -7.328 -11.966 -11.588 1.00 1.00 N ATOM 1271 CA SER A 83 -6.356 -12.808 -10.883 1.00 1.00 C ATOM 1272 C SER A 83 -5.547 -11.977 -9.895 1.00 1.00 C ATOM 1273 O SER A 83 -5.158 -10.846 -10.190 1.00 1.00 O ATOM 1274 CB SER A 83 -5.408 -13.455 -11.891 1.00 1.00 C ATOM 1275 OG SER A 83 -4.436 -14.224 -11.192 1.00 1.00 O ATOM 0 H SER A 83 -6.979 -11.044 -11.850 1.00 1.00 H new ATOM 0 HA SER A 83 -6.898 -13.580 -10.337 1.00 1.00 H new ATOM 0 HB2 SER A 83 -5.967 -14.091 -12.578 1.00 1.00 H new ATOM 0 HB3 SER A 83 -4.919 -12.689 -12.492 1.00 1.00 H new ATOM 0 HG SER A 83 -3.826 -14.643 -11.835 1.00 1.00 H new ATOM 1281 N ASN A 84 -5.294 -12.547 -8.718 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.527 -11.847 -7.696 1.00 1.00 C ATOM 1283 C ASN A 84 -3.920 -12.841 -6.707 1.00 1.00 C ATOM 1284 O ASN A 84 -3.828 -12.571 -5.512 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.446 -10.836 -6.966 1.00 1.00 C ATOM 1286 CG ASN A 84 -4.810 -9.445 -6.913 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -4.145 -9.104 -5.939 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -4.982 -8.618 -7.908 1.00 1.00 N ATOM 0 H ASN A 84 -5.606 -13.481 -8.453 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.708 -11.305 -8.169 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.407 -10.780 -7.477 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.644 -11.187 -5.953 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -4.564 -7.688 -7.876 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -5.535 -8.902 -8.717 1.00 1.00 H new ATOM 1295 N SER A 85 -3.496 -13.983 -7.217 1.00 1.00 N ATOM 1296 CA SER A 85 -2.890 -15.006 -6.367 1.00 1.00 C ATOM 1297 C SER A 85 -1.412 -14.699 -6.171 1.00 1.00 C ATOM 1298 O SER A 85 -0.630 -14.744 -7.122 1.00 1.00 O ATOM 1299 CB SER A 85 -3.052 -16.386 -7.006 1.00 1.00 C ATOM 1300 OG SER A 85 -2.453 -17.364 -6.166 1.00 1.00 O ATOM 0 H SER A 85 -3.556 -14.229 -8.205 1.00 1.00 H new ATOM 0 HA SER A 85 -3.391 -15.005 -5.399 1.00 1.00 H new ATOM 0 HB2 SER A 85 -4.109 -16.611 -7.150 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.586 -16.401 -7.991 1.00 1.00 H new ATOM 0 HG SER A 85 -2.556 -18.250 -6.571 1.00 1.00 H new ATOM 1306 N GLY A 86 -1.034 -14.359 -4.939 1.00 1.00 N ATOM 1307 CA GLY A 86 0.360 -14.020 -4.656 1.00 1.00 C ATOM 1308 C GLY A 86 0.855 -13.026 -5.697 1.00 1.00 C ATOM 1309 O GLY A 86 1.462 -13.414 -6.697 1.00 1.00 O ATOM 0 H GLY A 86 -1.660 -14.311 -4.135 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.447 -13.592 -3.657 1.00 1.00 H new ATOM 0 HA3 GLY A 86 0.976 -14.919 -4.673 1.00 1.00 H new ATOM 1313 N CYS A 87 0.550 -11.746 -5.484 1.00 1.00 N ATOM 1314 CA CYS A 87 0.924 -10.697 -6.444 1.00 1.00 C ATOM 1315 C CYS A 87 1.929 -9.714 -5.840 1.00 1.00 C ATOM 1316 O CYS A 87 1.917 -9.447 -4.639 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.355 -9.926 -6.887 1.00 1.00 C ATOM 1318 SG CYS A 87 -1.819 -10.622 -6.072 1.00 1.00 S ATOM 0 H CYS A 87 0.049 -11.408 -4.663 1.00 1.00 H new ATOM 0 HA CYS A 87 1.395 -11.174 -7.303 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.257 -8.870 -6.636 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.469 -9.987 -7.969 1.00 1.00 H new ATOM 1323 N LYS A 88 2.769 -9.151 -6.710 1.00 1.00 N ATOM 1324 CA LYS A 88 3.758 -8.154 -6.307 1.00 1.00 C ATOM 1325 C LYS A 88 3.397 -6.833 -6.972 1.00 1.00 C ATOM 1326 O LYS A 88 2.805 -6.824 -8.050 1.00 1.00 O ATOM 1327 CB LYS A 88 5.161 -8.576 -6.761 1.00 1.00 C ATOM 1328 CG LYS A 88 5.583 -9.864 -6.050 1.00 1.00 C ATOM 1329 CD LYS A 88 6.927 -10.323 -6.613 1.00 1.00 C ATOM 1330 CE LYS A 88 7.373 -11.613 -5.917 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.676 -12.057 -6.492 1.00 1.00 N ATOM 0 H LYS A 88 2.782 -9.372 -7.706 1.00 1.00 H new ATOM 0 HA LYS A 88 3.757 -8.057 -5.221 1.00 1.00 H new ATOM 0 HB2 LYS A 88 5.171 -8.728 -7.840 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.875 -7.782 -6.544 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.663 -9.693 -4.976 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.830 -10.638 -6.194 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.843 -10.490 -7.687 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.676 -9.544 -6.469 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.474 -11.445 -4.845 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.620 -12.390 -6.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.982 -12.933 -6.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 8.564 -12.232 -7.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 9.391 -11.316 -6.344 1.00 1.00 H new ATOM 1345 N ILE A 89 3.756 -5.717 -6.339 1.00 1.00 N ATOM 1346 CA ILE A 89 3.468 -4.393 -6.895 1.00 1.00 C ATOM 1347 C ILE A 89 4.753 -3.590 -6.989 1.00 1.00 C ATOM 1348 O ILE A 89 5.786 -3.989 -6.449 1.00 1.00 O ATOM 1349 CB ILE A 89 2.445 -3.634 -6.031 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.959 -3.498 -4.587 1.00 1.00 C ATOM 1351 CG2 ILE A 89 1.108 -4.389 -6.025 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.226 -2.362 -3.855 1.00 1.00 C ATOM 0 H ILE A 89 4.245 -5.701 -5.444 1.00 1.00 H new ATOM 0 HA ILE A 89 3.040 -4.526 -7.889 1.00 1.00 H new ATOM 0 HB ILE A 89 2.303 -2.639 -6.454 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.811 -4.437 -4.053 1.00 1.00 H new ATOM 0 HG13 ILE A 89 4.031 -3.301 -4.594 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.387 -3.848 -5.412 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.730 -4.468 -7.044 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.256 -5.388 -5.614 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.604 -2.282 -2.836 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.396 -1.422 -4.380 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.157 -2.575 -3.830 1.00 1.00 H new ATOM 1364 N ARG A 90 4.687 -2.457 -7.669 1.00 1.00 N ATOM 1365 CA ARG A 90 5.857 -1.597 -7.821 1.00 1.00 C ATOM 1366 C ARG A 90 5.453 -0.137 -7.676 1.00 1.00 C ATOM 1367 O ARG A 90 4.553 0.341 -8.369 1.00 1.00 O ATOM 1368 CB ARG A 90 6.513 -1.843 -9.197 1.00 1.00 C ATOM 1369 CG ARG A 90 8.041 -1.841 -9.067 1.00 1.00 C ATOM 1370 CD ARG A 90 8.525 -0.459 -8.613 1.00 1.00 C ATOM 1371 NE ARG A 90 9.979 -0.366 -8.756 1.00 1.00 N ATOM 1372 CZ ARG A 90 10.543 0.078 -9.879 1.00 1.00 C ATOM 1373 NH1 ARG A 90 9.802 0.501 -10.866 1.00 1.00 N ATOM 1374 NH2 ARG A 90 11.845 0.099 -9.991 1.00 1.00 N ATOM 0 H ARG A 90 3.842 -2.110 -8.123 1.00 1.00 H new ATOM 0 HA ARG A 90 6.581 -1.835 -7.041 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.177 -2.798 -9.602 1.00 1.00 H new ATOM 0 HB3 ARG A 90 6.200 -1.071 -9.900 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.354 -2.599 -8.350 1.00 1.00 H new ATOM 0 HG3 ARG A 90 8.496 -2.099 -10.023 1.00 1.00 H new ATOM 0 HD2 ARG A 90 8.043 0.318 -9.207 1.00 1.00 H new ATOM 0 HD3 ARG A 90 8.242 -0.288 -7.574 1.00 1.00 H new ATOM 0 HE ARG A 90 10.575 -0.648 -7.977 1.00 1.00 H new ATOM 0 HH11 ARG A 90 8.786 0.493 -10.781 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.239 0.840 -11.723 1.00 1.00 H new ATOM 0 HH21 ARG A 90 12.429 -0.224 -9.219 1.00 1.00 H new ATOM 0 HH22 ARG A 90 12.278 0.439 -10.850 1.00 1.00 H new ATOM 1388 N VAL A 91 6.128 0.566 -6.772 1.00 1.00 N ATOM 1389 CA VAL A 91 5.843 1.980 -6.530 1.00 1.00 C ATOM 1390 C VAL A 91 7.095 2.817 -6.768 1.00 1.00 C ATOM 1391 O VAL A 91 8.169 2.508 -6.252 1.00 1.00 O ATOM 1392 CB VAL A 91 5.373 2.166 -5.086 1.00 1.00 C ATOM 1393 CG1 VAL A 91 5.246 3.659 -4.761 1.00 1.00 C ATOM 1394 CG2 VAL A 91 4.017 1.482 -4.905 1.00 1.00 C ATOM 0 H VAL A 91 6.876 0.182 -6.194 1.00 1.00 H new ATOM 0 HA VAL A 91 5.062 2.307 -7.216 1.00 1.00 H new ATOM 0 HB VAL A 91 6.103 1.720 -4.410 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.911 3.780 -3.731 1.00 1.00 H new ATOM 0 HG12 VAL A 91 6.215 4.142 -4.886 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.522 4.118 -5.434 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.678 1.612 -3.877 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.291 1.927 -5.585 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.114 0.418 -5.123 1.00 1.00 H new ATOM 1404 N GLN A 92 6.940 3.879 -7.544 1.00 1.00 N ATOM 1405 CA GLN A 92 8.050 4.776 -7.851 1.00 1.00 C ATOM 1406 C GLN A 92 7.526 6.177 -8.144 1.00 1.00 C ATOM 1407 O GLN A 92 6.387 6.344 -8.578 1.00 1.00 O ATOM 1408 CB GLN A 92 8.837 4.259 -9.059 1.00 1.00 C ATOM 1409 CG GLN A 92 10.039 5.172 -9.313 1.00 1.00 C ATOM 1410 CD GLN A 92 10.945 4.564 -10.380 1.00 1.00 C ATOM 1411 OE1 GLN A 92 10.865 3.368 -10.655 1.00 1.00 O ATOM 1412 NE2 GLN A 92 11.809 5.323 -10.999 1.00 1.00 N ATOM 0 H GLN A 92 6.054 4.144 -7.975 1.00 1.00 H new ATOM 0 HA GLN A 92 8.712 4.813 -6.986 1.00 1.00 H new ATOM 0 HB2 GLN A 92 9.174 3.238 -8.877 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.195 4.231 -9.940 1.00 1.00 H new ATOM 0 HG2 GLN A 92 9.697 6.156 -9.634 1.00 1.00 H new ATOM 0 HG3 GLN A 92 10.598 5.315 -8.389 1.00 1.00 H new ATOM 0 HE21 GLN A 92 11.873 6.315 -10.769 1.00 1.00 H new ATOM 0 HE22 GLN A 92 12.419 4.924 -11.712 1.00 1.00 H new ATOM 1421 N GLY A 93 8.363 7.178 -7.902 1.00 1.00 N ATOM 1422 CA GLY A 93 7.975 8.562 -8.140 1.00 1.00 C ATOM 1423 C GLY A 93 9.200 9.468 -8.162 1.00 1.00 C ATOM 1424 O GLY A 93 10.276 9.080 -7.718 1.00 1.00 O ATOM 0 H GLY A 93 9.310 7.058 -7.543 1.00 1.00 H new ATOM 0 HA2 GLY A 93 7.443 8.638 -9.088 1.00 1.00 H new ATOM 0 HA3 GLY A 93 7.287 8.891 -7.361 1.00 1.00 H new ATOM 1428 N ASP A 94 9.034 10.670 -8.692 1.00 1.00 N ATOM 1429 CA ASP A 94 10.141 11.616 -8.770 1.00 1.00 C ATOM 1430 C ASP A 94 10.624 12.029 -7.377 1.00 1.00 C ATOM 1431 O ASP A 94 11.826 12.139 -7.134 1.00 1.00 O ATOM 1432 CB ASP A 94 9.701 12.860 -9.544 1.00 1.00 C ATOM 1433 CG ASP A 94 9.555 12.528 -11.025 1.00 1.00 C ATOM 1434 OD1 ASP A 94 9.951 11.441 -11.410 1.00 1.00 O ATOM 1435 OD2 ASP A 94 9.050 13.367 -11.753 1.00 1.00 O ATOM 0 H ASP A 94 8.152 11.013 -9.072 1.00 1.00 H new ATOM 0 HA ASP A 94 10.966 11.126 -9.286 1.00 1.00 H new ATOM 0 HB2 ASP A 94 8.753 13.227 -9.150 1.00 1.00 H new ATOM 0 HB3 ASP A 94 10.432 13.658 -9.412 1.00 1.00 H new ATOM 1440 N TRP A 95 9.677 12.280 -6.475 1.00 1.00 N ATOM 1441 CA TRP A 95 10.008 12.712 -5.114 1.00 1.00 C ATOM 1442 C TRP A 95 10.300 11.523 -4.193 1.00 1.00 C ATOM 1443 O TRP A 95 10.739 11.707 -3.059 1.00 1.00 O ATOM 1444 CB TRP A 95 8.860 13.555 -4.546 1.00 1.00 C ATOM 1445 CG TRP A 95 7.650 12.704 -4.346 1.00 1.00 C ATOM 1446 CD1 TRP A 95 6.871 12.203 -5.335 1.00 1.00 C ATOM 1447 CD2 TRP A 95 7.059 12.256 -3.094 1.00 1.00 C ATOM 1448 NE1 TRP A 95 5.851 11.462 -4.766 1.00 1.00 N ATOM 1449 CE2 TRP A 95 5.925 11.465 -3.388 1.00 1.00 C ATOM 1450 CE3 TRP A 95 7.400 12.449 -1.744 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 5.154 10.890 -2.381 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 6.626 11.873 -0.726 1.00 1.00 C ATOM 1453 CH2 TRP A 95 5.505 11.093 -1.044 1.00 1.00 C ATOM 0 H TRP A 95 8.677 12.193 -6.659 1.00 1.00 H new ATOM 0 HA TRP A 95 10.915 13.315 -5.164 1.00 1.00 H new ATOM 0 HB2 TRP A 95 9.161 14.002 -3.598 1.00 1.00 H new ATOM 0 HB3 TRP A 95 8.629 14.375 -5.226 1.00 1.00 H new ATOM 0 HD1 TRP A 95 7.022 12.357 -6.393 1.00 1.00 H new ATOM 0 HE1 TRP A 95 5.132 10.973 -5.300 1.00 1.00 H new ATOM 0 HE3 TRP A 95 8.264 13.045 -1.489 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 4.291 10.291 -2.632 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 6.895 12.031 0.308 1.00 1.00 H new ATOM 0 HH2 TRP A 95 4.914 10.650 -0.256 1.00 1.00 H new ATOM 1464 N ILE A 96 10.064 10.304 -4.685 1.00 1.00 N ATOM 1465 CA ILE A 96 10.315 9.085 -3.899 1.00 1.00 C ATOM 1466 C ILE A 96 11.239 8.137 -4.665 1.00 1.00 C ATOM 1467 O ILE A 96 11.406 8.264 -5.874 1.00 1.00 O ATOM 1468 CB ILE A 96 8.985 8.382 -3.580 1.00 1.00 C ATOM 1469 CG1 ILE A 96 8.115 8.373 -4.844 1.00 1.00 C ATOM 1470 CG2 ILE A 96 8.260 9.117 -2.438 1.00 1.00 C ATOM 1471 CD1 ILE A 96 6.893 7.478 -4.625 1.00 1.00 C ATOM 0 H ILE A 96 9.700 10.131 -5.622 1.00 1.00 H new ATOM 0 HA ILE A 96 10.802 9.366 -2.965 1.00 1.00 H new ATOM 0 HB ILE A 96 9.176 7.357 -3.261 1.00 1.00 H new ATOM 0 HG12 ILE A 96 7.796 9.387 -5.084 1.00 1.00 H new ATOM 0 HG13 ILE A 96 8.695 8.011 -5.693 1.00 1.00 H new ATOM 0 HG21 ILE A 96 7.319 8.612 -2.219 1.00 1.00 H new ATOM 0 HG22 ILE A 96 8.888 9.115 -1.547 1.00 1.00 H new ATOM 0 HG23 ILE A 96 8.058 10.145 -2.737 1.00 1.00 H new ATOM 0 HD11 ILE A 96 6.278 7.475 -5.525 1.00 1.00 H new ATOM 0 HD12 ILE A 96 7.221 6.462 -4.406 1.00 1.00 H new ATOM 0 HD13 ILE A 96 6.308 7.859 -3.788 1.00 1.00 H new ATOM 1483 N ARG A 97 11.852 7.191 -3.953 1.00 1.00 N ATOM 1484 CA ARG A 97 12.771 6.239 -4.584 1.00 1.00 C ATOM 1485 C ARG A 97 12.066 4.916 -4.875 1.00 1.00 C ATOM 1486 O ARG A 97 10.879 4.758 -4.590 1.00 1.00 O ATOM 1487 CB ARG A 97 13.976 5.996 -3.671 1.00 1.00 C ATOM 1488 CG ARG A 97 13.550 5.198 -2.434 1.00 1.00 C ATOM 1489 CD ARG A 97 14.704 5.155 -1.430 1.00 1.00 C ATOM 1490 NE ARG A 97 14.921 6.473 -0.839 1.00 1.00 N ATOM 1491 CZ ARG A 97 14.194 6.892 0.196 1.00 1.00 C ATOM 1492 NH1 ARG A 97 13.215 6.154 0.642 1.00 1.00 N ATOM 1493 NH2 ARG A 97 14.452 8.043 0.754 1.00 1.00 N ATOM 0 H ARG A 97 11.732 7.062 -2.948 1.00 1.00 H new ATOM 0 HA ARG A 97 13.112 6.663 -5.528 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.750 5.453 -4.214 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.409 6.949 -3.367 1.00 1.00 H new ATOM 0 HG2 ARG A 97 12.673 5.657 -1.977 1.00 1.00 H new ATOM 0 HG3 ARG A 97 13.267 4.186 -2.721 1.00 1.00 H new ATOM 0 HD2 ARG A 97 14.484 4.431 -0.646 1.00 1.00 H new ATOM 0 HD3 ARG A 97 15.614 4.819 -1.928 1.00 1.00 H new ATOM 0 HE ARG A 97 15.641 7.083 -1.225 1.00 1.00 H new ATOM 0 HH11 ARG A 97 13.008 5.259 0.199 1.00 1.00 H new ATOM 0 HH12 ARG A 97 12.657 6.472 1.434 1.00 1.00 H new ATOM 0 HH21 ARG A 97 15.211 8.624 0.398 1.00 1.00 H new ATOM 0 HH22 ARG A 97 13.894 8.362 1.546 1.00 1.00 H new ATOM 1507 N GLU A 98 12.805 3.971 -5.446 1.00 1.00 N ATOM 1508 CA GLU A 98 12.238 2.669 -5.771 1.00 1.00 C ATOM 1509 C GLU A 98 11.734 1.972 -4.511 1.00 1.00 C ATOM 1510 O GLU A 98 12.437 1.890 -3.503 1.00 1.00 O ATOM 1511 CB GLU A 98 13.290 1.795 -6.463 1.00 1.00 C ATOM 1512 CG GLU A 98 12.664 0.458 -6.866 1.00 1.00 C ATOM 1513 CD GLU A 98 13.686 -0.390 -7.614 1.00 1.00 C ATOM 1514 OE1 GLU A 98 14.690 0.161 -8.031 1.00 1.00 O ATOM 1515 OE2 GLU A 98 13.447 -1.576 -7.762 1.00 1.00 O ATOM 0 H GLU A 98 13.789 4.081 -5.691 1.00 1.00 H new ATOM 0 HA GLU A 98 11.396 2.820 -6.446 1.00 1.00 H new ATOM 0 HB2 GLU A 98 13.679 2.306 -7.344 1.00 1.00 H new ATOM 0 HB3 GLU A 98 14.134 1.626 -5.794 1.00 1.00 H new ATOM 0 HG2 GLU A 98 12.317 -0.073 -5.979 1.00 1.00 H new ATOM 0 HG3 GLU A 98 11.791 0.631 -7.496 1.00 1.00 H new ATOM 1522 N ARG A 99 10.505 1.468 -4.587 1.00 1.00 N ATOM 1523 CA ARG A 99 9.881 0.763 -3.468 1.00 1.00 C ATOM 1524 C ARG A 99 9.150 -0.477 -3.987 1.00 1.00 C ATOM 1525 O ARG A 99 8.453 -0.407 -4.998 1.00 1.00 O ATOM 1526 CB ARG A 99 8.877 1.690 -2.775 1.00 1.00 C ATOM 1527 CG ARG A 99 9.613 2.833 -2.072 1.00 1.00 C ATOM 1528 CD ARG A 99 8.588 3.779 -1.440 1.00 1.00 C ATOM 1529 NE ARG A 99 9.259 4.891 -0.775 1.00 1.00 N ATOM 1530 CZ ARG A 99 9.681 4.789 0.482 1.00 1.00 C ATOM 1531 NH1 ARG A 99 9.502 3.677 1.142 1.00 1.00 N ATOM 1532 NH2 ARG A 99 10.272 5.800 1.057 1.00 1.00 N ATOM 0 H ARG A 99 9.917 1.535 -5.418 1.00 1.00 H new ATOM 0 HA ARG A 99 10.651 0.461 -2.757 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.178 2.094 -3.507 1.00 1.00 H new ATOM 0 HB3 ARG A 99 8.290 1.126 -2.051 1.00 1.00 H new ATOM 0 HG2 ARG A 99 10.279 2.436 -1.306 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.234 3.375 -2.785 1.00 1.00 H new ATOM 0 HD2 ARG A 99 7.915 4.160 -2.208 1.00 1.00 H new ATOM 0 HD3 ARG A 99 7.976 3.234 -0.721 1.00 1.00 H new ATOM 0 HE ARG A 99 9.407 5.763 -1.284 1.00 1.00 H new ATOM 0 HH11 ARG A 99 9.039 2.887 0.694 1.00 1.00 H new ATOM 0 HH12 ARG A 99 9.826 3.598 2.106 1.00 1.00 H new ATOM 0 HH21 ARG A 99 10.411 6.670 0.542 1.00 1.00 H new ATOM 0 HH22 ARG A 99 10.595 5.721 2.021 1.00 1.00 H new ATOM 1546 N ARG A 100 9.314 -1.612 -3.301 1.00 1.00 N ATOM 1547 CA ARG A 100 8.662 -2.861 -3.719 1.00 1.00 C ATOM 1548 C ARG A 100 7.921 -3.521 -2.563 1.00 1.00 C ATOM 1549 O ARG A 100 8.305 -3.383 -1.402 1.00 1.00 O ATOM 1550 CB ARG A 100 9.711 -3.818 -4.277 1.00 1.00 C ATOM 1551 CG ARG A 100 10.196 -3.272 -5.619 1.00 1.00 C ATOM 1552 CD ARG A 100 11.290 -4.167 -6.189 1.00 1.00 C ATOM 1553 NE ARG A 100 11.748 -3.604 -7.458 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.182 -3.932 -8.619 1.00 1.00 C ATOM 1555 NH1 ARG A 100 10.329 -4.920 -8.693 1.00 1.00 N ATOM 1556 NH2 ARG A 100 11.510 -3.278 -9.699 1.00 1.00 N ATOM 0 H ARG A 100 9.887 -1.694 -2.461 1.00 1.00 H new ATOM 0 HA ARG A 100 7.929 -2.622 -4.489 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.545 -3.913 -3.582 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.287 -4.814 -4.404 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.362 -3.214 -6.319 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.576 -2.258 -5.491 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.121 -4.240 -5.487 1.00 1.00 H new ATOM 0 HD3 ARG A 100 10.910 -5.177 -6.340 1.00 1.00 H new ATOM 0 HE ARG A 100 12.523 -2.941 -7.455 1.00 1.00 H new ATOM 0 HH11 ARG A 100 10.089 -5.451 -7.855 1.00 1.00 H new ATOM 0 HH12 ARG A 100 9.903 -5.160 -9.588 1.00 1.00 H new ATOM 0 HH21 ARG A 100 12.194 -2.523 -9.650 1.00 1.00 H new ATOM 0 HH22 ARG A 100 11.082 -3.522 -10.592 1.00 1.00 H new ATOM 1570 N PHE A 101 6.844 -4.238 -2.899 1.00 1.00 N ATOM 1571 CA PHE A 101 6.028 -4.922 -1.896 1.00 1.00 C ATOM 1572 C PHE A 101 5.501 -6.244 -2.452 1.00 1.00 C ATOM 1573 O PHE A 101 5.468 -6.447 -3.665 1.00 1.00 O ATOM 1574 CB PHE A 101 4.842 -4.041 -1.502 1.00 1.00 C ATOM 1575 CG PHE A 101 5.335 -2.745 -0.903 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.814 -2.718 0.412 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.304 -1.568 -1.660 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.265 -1.514 0.967 1.00 1.00 C ATOM 1579 CE2 PHE A 101 5.753 -0.366 -1.106 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.234 -0.338 0.208 1.00 1.00 C ATOM 0 H PHE A 101 6.519 -4.359 -3.858 1.00 1.00 H new ATOM 0 HA PHE A 101 6.649 -5.119 -1.022 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.225 -3.835 -2.377 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.212 -4.566 -0.784 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.836 -3.625 0.998 1.00 1.00 H new ATOM 0 HD2 PHE A 101 4.932 -1.589 -2.674 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.637 -1.493 1.981 1.00 1.00 H new ATOM 0 HE2 PHE A 101 5.729 0.541 -1.692 1.00 1.00 H new ATOM 0 HZ PHE A 101 6.581 0.591 0.636 1.00 1.00 H new ATOM 1590 N GLU A 102 5.085 -7.140 -1.556 1.00 1.00 N ATOM 1591 CA GLU A 102 4.554 -8.444 -1.962 1.00 1.00 C ATOM 1592 C GLU A 102 3.441 -8.896 -1.021 1.00 1.00 C ATOM 1593 O GLU A 102 3.536 -8.730 0.192 1.00 1.00 O ATOM 1594 CB GLU A 102 5.684 -9.479 -1.964 1.00 1.00 C ATOM 1595 CG GLU A 102 5.133 -10.865 -2.325 1.00 1.00 C ATOM 1596 CD GLU A 102 6.278 -11.867 -2.429 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.414 -11.432 -2.504 1.00 1.00 O ATOM 1598 OE2 GLU A 102 6.000 -13.056 -2.431 1.00 1.00 O ATOM 0 H GLU A 102 5.105 -6.988 -0.548 1.00 1.00 H new ATOM 0 HA GLU A 102 4.138 -8.352 -2.965 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.453 -9.188 -2.680 1.00 1.00 H new ATOM 0 HB3 GLU A 102 6.158 -9.512 -0.983 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.420 -11.191 -1.568 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.593 -10.817 -3.271 1.00 1.00 H new ATOM 1605 N ILE A 103 2.387 -9.484 -1.595 1.00 1.00 N ATOM 1606 CA ILE A 103 1.252 -9.980 -0.811 1.00 1.00 C ATOM 1607 C ILE A 103 1.010 -11.465 -1.136 1.00 1.00 C ATOM 1608 O ILE A 103 0.424 -11.771 -2.174 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.014 -9.176 -1.154 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.125 -7.712 -0.664 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.221 -9.830 -0.468 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.725 -6.834 -1.758 1.00 1.00 C ATOM 0 H ILE A 103 2.296 -9.628 -2.601 1.00 1.00 H new ATOM 0 HA ILE A 103 1.477 -9.866 0.249 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.152 -9.171 -2.235 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.852 -7.325 -0.375 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.756 -7.678 0.224 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.124 -9.267 -0.705 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.329 -10.855 -0.822 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.069 -9.833 0.611 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.814 -5.810 -1.395 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.712 -7.211 -2.027 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.078 -6.852 -2.635 1.00 1.00 H new ATOM 1624 N PRO A 104 1.443 -12.390 -0.299 1.00 1.00 N ATOM 1625 CA PRO A 104 1.245 -13.845 -0.570 1.00 1.00 C ATOM 1626 C PRO A 104 -0.197 -14.298 -0.328 1.00 1.00 C ATOM 1627 O PRO A 104 -0.580 -15.402 -0.714 1.00 1.00 O ATOM 1628 CB PRO A 104 2.231 -14.533 0.388 1.00 1.00 C ATOM 1629 CG PRO A 104 2.403 -13.580 1.531 1.00 1.00 C ATOM 1630 CD PRO A 104 2.151 -12.167 0.982 1.00 1.00 C ATOM 0 HA PRO A 104 1.427 -14.096 -1.615 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.842 -15.492 0.731 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.183 -14.733 -0.104 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.704 -13.812 2.334 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.406 -13.657 1.950 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.549 -11.575 1.671 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.086 -11.627 0.831 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.994 -13.440 0.309 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.396 -13.763 0.588 1.00 1.00 C ATOM 1640 C ASP A 105 -3.282 -13.244 -0.537 1.00 1.00 C ATOM 1641 O ASP A 105 -3.412 -12.041 -0.727 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.811 -13.143 1.923 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.197 -13.924 3.082 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.743 -15.034 2.853 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.187 -13.398 4.183 1.00 1.00 O ATOM 0 H ASP A 105 -0.697 -12.522 0.640 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.512 -14.845 0.651 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.488 -12.103 1.965 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.898 -13.143 2.010 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.858 -14.167 -1.297 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.707 -13.821 -2.441 1.00 1.00 C ATOM 1652 C GLU A 106 -5.902 -12.952 -2.045 1.00 1.00 C ATOM 1653 O GLU A 106 -6.144 -11.912 -2.657 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.204 -15.110 -3.103 1.00 1.00 C ATOM 1655 CG GLU A 106 -6.063 -14.775 -4.326 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.440 -16.053 -5.065 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.808 -17.067 -4.818 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -7.358 -16.000 -5.866 1.00 1.00 O ATOM 0 H GLU A 106 -3.754 -15.170 -1.144 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.104 -13.237 -3.136 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.355 -15.725 -3.402 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.785 -15.694 -2.389 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.964 -14.247 -4.014 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.517 -14.108 -4.992 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.655 -13.379 -1.040 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.822 -12.626 -0.610 1.00 1.00 C ATOM 1667 C GLU A 107 -7.435 -11.191 -0.275 1.00 1.00 C ATOM 1668 O GLU A 107 -8.167 -10.257 -0.582 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.478 -13.304 0.602 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.490 -13.379 1.769 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.147 -14.075 2.958 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -9.348 -13.933 3.112 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.438 -14.742 3.695 1.00 1.00 O ATOM 0 H GLU A 107 -6.480 -14.234 -0.513 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.543 -12.606 -1.427 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.365 -12.747 0.903 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.808 -14.307 0.331 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.596 -13.923 1.466 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.172 -12.376 2.053 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.280 -11.019 0.344 1.00 1.00 N ATOM 1681 CA HIS A 108 -5.809 -9.687 0.694 1.00 1.00 C ATOM 1682 C HIS A 108 -5.243 -8.972 -0.535 1.00 1.00 C ATOM 1683 O HIS A 108 -5.347 -7.751 -0.655 1.00 1.00 O ATOM 1684 CB HIS A 108 -4.731 -9.787 1.769 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.325 -10.258 3.072 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.537 -10.729 4.111 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.620 -10.331 3.528 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.354 -11.061 5.127 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.634 -10.838 4.825 1.00 1.00 N ATOM 0 H HIS A 108 -5.654 -11.778 0.614 1.00 1.00 H new ATOM 0 HA HIS A 108 -6.653 -9.111 1.074 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -3.952 -10.478 1.447 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.258 -8.815 1.909 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.494 -10.039 2.965 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -5.015 -11.459 6.072 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.448 -11.003 5.417 1.00 1.00 H new ATOM 1697 N CYS A 109 -4.628 -9.738 -1.432 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.028 -9.171 -2.641 1.00 1.00 C ATOM 1699 C CYS A 109 -5.065 -8.439 -3.485 1.00 1.00 C ATOM 1700 O CYS A 109 -4.879 -7.272 -3.835 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.361 -10.287 -3.469 1.00 1.00 C ATOM 1702 SG CYS A 109 -1.886 -9.643 -4.303 1.00 1.00 S ATOM 0 H CYS A 109 -4.531 -10.750 -1.347 1.00 1.00 H new ATOM 0 HA CYS A 109 -3.273 -8.446 -2.337 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.088 -11.119 -2.820 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.065 -10.675 -4.205 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.147 -9.129 -3.818 1.00 1.00 N ATOM 1708 CA LEU A 110 -7.191 -8.526 -4.633 1.00 1.00 C ATOM 1709 C LEU A 110 -7.837 -7.348 -3.907 1.00 1.00 C ATOM 1710 O LEU A 110 -8.127 -6.323 -4.519 1.00 1.00 O ATOM 1711 CB LEU A 110 -8.242 -9.576 -5.025 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.850 -10.258 -3.764 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -10.210 -9.620 -3.437 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -9.056 -11.758 -4.025 1.00 1.00 C ATOM 0 H LEU A 110 -6.324 -10.095 -3.540 1.00 1.00 H new ATOM 0 HA LEU A 110 -6.735 -8.144 -5.546 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.035 -9.103 -5.604 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -7.786 -10.330 -5.666 1.00 1.00 H new ATOM 0 HG LEU A 110 -8.165 -10.123 -2.927 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -10.634 -10.099 -2.554 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.075 -8.556 -3.243 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.886 -9.752 -4.281 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -9.482 -12.227 -3.138 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.736 -11.891 -4.867 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -8.097 -12.222 -4.256 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.046 -7.482 -2.600 1.00 1.00 N ATOM 1727 CA LYS A 111 -8.642 -6.394 -1.826 1.00 1.00 C ATOM 1728 C LYS A 111 -7.728 -5.174 -1.821 1.00 1.00 C ATOM 1729 O LYS A 111 -8.180 -4.045 -2.004 1.00 1.00 O ATOM 1730 CB LYS A 111 -8.890 -6.840 -0.380 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.054 -7.826 -0.346 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.319 -8.267 1.091 1.00 1.00 C ATOM 1733 CE LYS A 111 -11.528 -9.200 1.118 1.00 1.00 C ATOM 1734 NZ LYS A 111 -11.224 -10.429 0.331 1.00 1.00 N ATOM 0 H LYS A 111 -7.817 -8.317 -2.061 1.00 1.00 H new ATOM 0 HA LYS A 111 -9.591 -6.131 -2.294 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -7.993 -7.306 0.028 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.113 -5.976 0.246 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -10.947 -7.362 -0.764 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -9.826 -8.693 -0.966 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.444 -8.776 1.495 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -10.502 -7.398 1.722 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -11.773 -9.465 2.146 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -12.400 -8.695 0.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -11.475 -11.270 0.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.775 -10.422 -0.551 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -10.209 -10.454 0.105 1.00 1.00 H new ATOM 1748 N PHE A 112 -6.443 -5.415 -1.603 1.00 1.00 N ATOM 1749 CA PHE A 112 -5.464 -4.338 -1.563 1.00 1.00 C ATOM 1750 C PHE A 112 -5.378 -3.615 -2.907 1.00 1.00 C ATOM 1751 O PHE A 112 -5.490 -2.390 -2.970 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.098 -4.938 -1.196 1.00 1.00 C ATOM 1753 CG PHE A 112 -2.981 -3.958 -1.500 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -2.950 -2.709 -0.868 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -1.986 -4.300 -2.424 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -1.920 -1.805 -1.159 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -0.962 -3.397 -2.715 1.00 1.00 C ATOM 1758 CZ PHE A 112 -0.927 -2.151 -2.085 1.00 1.00 C ATOM 0 H PHE A 112 -6.054 -6.346 -1.451 1.00 1.00 H new ATOM 0 HA PHE A 112 -5.769 -3.604 -0.817 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.082 -5.198 -0.137 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -3.940 -5.861 -1.753 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -3.719 -2.443 -0.158 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.011 -5.263 -2.912 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -1.891 -0.842 -0.670 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -0.196 -3.662 -3.428 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.134 -1.454 -2.312 1.00 1.00 H new ATOM 1768 N LEU A 113 -5.173 -4.377 -3.972 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.062 -3.793 -5.302 1.00 1.00 C ATOM 1770 C LEU A 113 -6.382 -3.175 -5.754 1.00 1.00 C ATOM 1771 O LEU A 113 -6.397 -2.110 -6.365 1.00 1.00 O ATOM 1772 CB LEU A 113 -4.597 -4.863 -6.298 1.00 1.00 C ATOM 1773 CG LEU A 113 -3.072 -5.051 -6.193 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -2.659 -6.298 -6.982 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -2.332 -3.807 -6.748 1.00 1.00 C ATOM 0 H LEU A 113 -5.081 -5.392 -3.943 1.00 1.00 H new ATOM 0 HA LEU A 113 -4.324 -2.991 -5.264 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -5.103 -5.807 -6.094 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -4.867 -4.569 -7.312 1.00 1.00 H new ATOM 0 HG LEU A 113 -2.801 -5.174 -5.144 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -1.580 -6.434 -6.909 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.163 -7.172 -6.570 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.940 -6.176 -8.028 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.256 -3.957 -6.666 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -2.599 -3.662 -7.795 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -2.620 -2.926 -6.174 1.00 1.00 H new ATOM 1787 N SER A 114 -7.484 -3.851 -5.469 1.00 1.00 N ATOM 1788 CA SER A 114 -8.795 -3.353 -5.865 1.00 1.00 C ATOM 1789 C SER A 114 -9.110 -2.020 -5.195 1.00 1.00 C ATOM 1790 O SER A 114 -9.617 -1.099 -5.836 1.00 1.00 O ATOM 1791 CB SER A 114 -9.867 -4.378 -5.494 1.00 1.00 C ATOM 1792 OG SER A 114 -11.142 -3.891 -5.895 1.00 1.00 O ATOM 0 H SER A 114 -7.499 -4.740 -4.969 1.00 1.00 H new ATOM 0 HA SER A 114 -8.786 -3.197 -6.944 1.00 1.00 H new ATOM 0 HB2 SER A 114 -9.659 -5.331 -5.981 1.00 1.00 H new ATOM 0 HB3 SER A 114 -9.856 -4.560 -4.419 1.00 1.00 H new ATOM 0 HG SER A 114 -11.831 -4.547 -5.660 1.00 1.00 H new ATOM 1798 N ALA A 115 -8.825 -1.927 -3.900 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.104 -0.701 -3.155 1.00 1.00 C ATOM 1800 C ALA A 115 -8.204 0.453 -3.613 1.00 1.00 C ATOM 1801 O ALA A 115 -8.685 1.550 -3.894 1.00 1.00 O ATOM 1802 CB ALA A 115 -8.913 -0.961 -1.653 1.00 1.00 C ATOM 0 H ALA A 115 -8.406 -2.676 -3.348 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.136 -0.409 -3.349 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.121 -0.047 -1.096 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -9.596 -1.746 -1.330 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -7.886 -1.274 -1.466 1.00 1.00 H new ATOM 1808 N VAL A 116 -6.900 0.197 -3.683 1.00 1.00 N ATOM 1809 CA VAL A 116 -5.945 1.223 -4.102 1.00 1.00 C ATOM 1810 C VAL A 116 -6.156 1.606 -5.561 1.00 1.00 C ATOM 1811 O VAL A 116 -6.127 2.787 -5.912 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.513 0.714 -3.896 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.514 1.718 -4.476 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.246 0.544 -2.400 1.00 1.00 C ATOM 0 H VAL A 116 -6.481 -0.705 -3.457 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.107 2.111 -3.492 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.397 -0.243 -4.404 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.499 1.350 -4.326 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -3.701 1.842 -5.543 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.630 2.678 -3.973 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.229 0.182 -2.251 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.367 1.504 -1.897 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -4.952 -0.175 -1.984 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.358 0.608 -6.408 1.00 1.00 N ATOM 1825 CA LEU A 117 -6.560 0.859 -7.829 1.00 1.00 C ATOM 1826 C LEU A 117 -7.788 1.731 -8.047 1.00 1.00 C ATOM 1827 O LEU A 117 -7.747 2.703 -8.801 1.00 1.00 O ATOM 1828 CB LEU A 117 -6.747 -0.477 -8.557 1.00 1.00 C ATOM 1829 CG LEU A 117 -7.084 -0.241 -10.034 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -5.995 0.618 -10.690 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -7.176 -1.592 -10.744 1.00 1.00 C ATOM 0 H LEU A 117 -6.387 -0.376 -6.140 1.00 1.00 H new ATOM 0 HA LEU A 117 -5.687 1.379 -8.223 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -5.838 -1.072 -8.476 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -7.545 -1.048 -8.082 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.037 0.283 -10.112 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -6.243 0.781 -11.739 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -5.932 1.579 -10.179 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -5.035 0.106 -10.619 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -7.415 -1.435 -11.796 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -6.221 -2.111 -10.663 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -7.957 -2.194 -10.280 1.00 1.00 H new ATOM 1843 N ALA A 118 -8.872 1.374 -7.378 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.115 2.122 -7.496 1.00 1.00 C ATOM 1845 C ALA A 118 -9.921 3.550 -7.002 1.00 1.00 C ATOM 1846 O ALA A 118 -10.582 4.476 -7.471 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.215 1.432 -6.686 1.00 1.00 C ATOM 0 H ALA A 118 -8.918 0.573 -6.749 1.00 1.00 H new ATOM 0 HA ALA A 118 -10.410 2.153 -8.545 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.143 1.996 -6.778 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.366 0.421 -7.065 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -10.921 1.386 -5.638 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.009 3.723 -6.050 1.00 1.00 N ATOM 1854 CA ALA A 119 -8.740 5.046 -5.503 1.00 1.00 C ATOM 1855 C ALA A 119 -8.173 5.973 -6.576 1.00 1.00 C ATOM 1856 O ALA A 119 -8.582 7.124 -6.686 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.748 4.939 -4.341 1.00 1.00 C ATOM 0 H ALA A 119 -8.450 2.972 -5.646 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.680 5.464 -5.143 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.552 5.932 -3.937 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.170 4.307 -3.560 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -6.815 4.502 -4.698 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.226 5.466 -7.363 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.609 6.276 -8.416 1.00 1.00 C ATOM 1865 C GLN A 120 -7.626 6.697 -9.469 1.00 1.00 C ATOM 1866 O GLN A 120 -7.635 7.843 -9.913 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.480 5.496 -9.094 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.310 5.332 -8.123 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.200 4.518 -8.782 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.464 3.473 -9.374 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -1.966 4.939 -8.713 1.00 1.00 N ATOM 0 H GLN A 120 -6.872 4.512 -7.295 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.209 7.172 -7.942 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.841 4.518 -9.412 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.150 6.021 -9.991 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -3.930 6.310 -7.829 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.647 4.834 -7.214 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.750 5.806 -8.221 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.218 4.401 -9.151 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.477 5.766 -9.865 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.495 6.051 -10.872 1.00 1.00 C ATOM 1882 C LYS A 121 -10.445 7.113 -10.359 1.00 1.00 C ATOM 1883 O LYS A 121 -10.830 8.034 -11.079 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.288 4.785 -11.146 1.00 1.00 C ATOM 1885 CG LYS A 121 -9.405 3.763 -11.846 1.00 1.00 C ATOM 1886 CD LYS A 121 -10.145 2.433 -11.875 1.00 1.00 C ATOM 1887 CE LYS A 121 -9.302 1.393 -12.616 1.00 1.00 C ATOM 1888 NZ LYS A 121 -9.982 0.065 -12.572 1.00 1.00 N ATOM 0 H LYS A 121 -8.487 4.810 -9.509 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.010 6.403 -11.782 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -10.666 4.372 -10.211 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -11.155 5.015 -11.766 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -9.174 4.091 -12.859 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -8.456 3.658 -11.321 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -10.347 2.095 -10.858 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -11.110 2.553 -12.368 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -9.154 1.702 -13.651 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -8.314 1.321 -12.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -9.405 -0.637 -13.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -10.101 -0.232 -11.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -10.915 0.137 -13.026 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.830 6.955 -9.104 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.759 7.885 -8.473 1.00 1.00 C ATOM 1904 C ALA A 122 -11.194 9.306 -8.457 1.00 1.00 C ATOM 1905 O ALA A 122 -11.928 10.269 -8.683 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.051 7.424 -7.046 1.00 1.00 C ATOM 0 H ALA A 122 -10.516 6.195 -8.501 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.682 7.897 -9.052 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.745 8.119 -6.574 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.494 6.428 -7.069 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.123 7.395 -6.476 1.00 1.00 H new ATOM 1912 N GLN A 123 -9.896 9.437 -8.196 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.271 10.756 -8.166 1.00 1.00 C ATOM 1914 C GLN A 123 -9.294 11.394 -9.550 1.00 1.00 C ATOM 1915 O GLN A 123 -9.592 12.579 -9.694 1.00 1.00 O ATOM 1916 CB GLN A 123 -7.824 10.650 -7.682 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.811 10.283 -6.198 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.375 10.206 -5.694 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.581 11.114 -5.939 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -5.993 9.172 -4.998 1.00 1.00 N ATOM 0 H GLN A 123 -9.265 8.659 -8.005 1.00 1.00 H new ATOM 0 HA GLN A 123 -9.838 11.381 -7.476 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -7.290 9.895 -8.259 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -7.306 11.596 -7.839 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.367 11.026 -5.626 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -8.310 9.326 -6.047 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -6.653 8.421 -4.796 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.034 9.114 -4.655 1.00 1.00 H new ATOM 1929 N SER A 124 -8.975 10.599 -10.567 1.00 1.00 N ATOM 1930 CA SER A 124 -8.965 11.100 -11.937 1.00 1.00 C ATOM 1931 C SER A 124 -10.388 11.258 -12.461 1.00 1.00 C ATOM 1932 O SER A 124 -10.971 10.259 -12.847 1.00 1.00 O ATOM 1933 CB SER A 124 -8.192 10.137 -12.840 1.00 1.00 C ATOM 1934 OG SER A 124 -6.820 10.149 -12.472 1.00 1.00 O ATOM 1935 OXT SER A 124 -10.873 12.378 -12.470 1.00 1.00 O ATOM 0 H SER A 124 -8.723 9.615 -10.470 1.00 1.00 H new ATOM 0 HA SER A 124 -8.477 12.075 -11.943 1.00 1.00 H new ATOM 0 HB2 SER A 124 -8.597 9.129 -12.747 1.00 1.00 H new ATOM 0 HB3 SER A 124 -8.303 10.430 -13.884 1.00 1.00 H new ATOM 0 HG SER A 124 -6.322 9.532 -13.047 1.00 1.00 H new TER 1941 SER A 124